Marvin  08070821302D          

 15 16  0  0  0  0            999 V2000
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 11  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  2  2  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  7 10  1  0  0  0  0
  3 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:44588

> <NAME>
1-naphthyloxyacetic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44587; CHEBI:33078

> <SYNONYM>
NAPHTHYLOXYACETIC ACID; 1-naphthyloxyacetic acid; 1-naphthoxyacetic acid; (1-naphthyloxy)acetic acid; (1-naphthalenyloxy)acetic acid

> <IUPAC_NAME>
(naphthalen-1-yloxy)acetic acid

> <FORMULA>
C12H10O3

> <MASS>
202.20600

> <MONOISOTOPIC_MASS>
202.06299

> <CHARGE>
0

> <SMILES>
OC(=O)COc1cccc2ccccc12

> <INCHI>
InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)

> <INCHIKEY>
GHRYSOFWKRRLMI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1912165

> <CAS_REGISTRY_NUMBER>
2976-75-2

> <GMELIN_REGISTRY_NUMBER>
2157801

> <CHEMIDPLUS>
2976-75-2

> <PDBECHEM_ACCESSION>
NOA

$$$$