Marvin  10160809312D          

 27 29  0  0  0  0            999 V2000
    1.7679    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534    2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534    1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0900    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8045    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8045   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0900   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756    1.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1968    3.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1968   -1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190   -1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9113    2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9113   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 15 10  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16  9  2  0  0  0  0
  9 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  7 21  1  0  0  0  0
  6 22  1  0  0  0  0
 19 23  1  0  0  0  0
 13 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <ID>
CHEBI:3641

> <NAME>
chlorotrianisene

> <STAR>
3

> <SYNONYM>
Chlortrianizen; Chlortrianisoestrolum; Chlortrianisestrol; Chlortrianisen; Chlorotrianizen; Chlorotrianisine; Chlorestrolo; Chloortrianisestrol

> <IUPAC_NAME>
1,1',1''-(2-chloroethene-1,1,2-triyl)tris(4-methoxybenzene)

> <INN>
clorotrianiseno; chlorotrianisenum; chlorotrianisene; chlorotrianisene

> <FORMULA>
C23H21ClO3

> <MASS>
380.86374

> <MONOISOTOPIC_MASS>
380.11792

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1)C(Cl)=C(c1ccc(OC)cc1)c1ccc(OC)cc1

> <INCHI>
InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3

> <INCHIKEY>
BFPSDSIWYFKGBC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1891845

> <CAS_REGISTRY_NUMBER>
569-57-3

> <CHEMIDPLUS>
569-57-3

> <DRUGBANK_ACCESSION>
DB00269

> <KEGG_DRUG_ACCESSION>
D00269

> <LINCS_ACCESSION>
LSM-5411

> <WIKIPEDIA_ACCESSION>
Chlorotrianisene

$$$$