Ketcher 12131816202D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 14.5322 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3983 -6.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1302 -4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6662 -6.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2643 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9963 -5.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8002 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1302 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0681 -5.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8623 -4.9001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.2021 -4.9001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9342 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9342 -4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2643 -5.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5322 -5.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8002 -5.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0681 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2021 -6.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.9963 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3981 -4.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3981 -3.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3981 -3.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3982 -3.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3981 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 4 1 1 0 0 0 15 1 2 0 0 0 5 2 1 0 0 0 14 3 1 0 0 0 6 3 2 0 0 0 5 14 2 0 0 0 7 4 1 0 0 0 8 5 1 0 0 0 19 6 1 0 0 0 10 6 1 0 0 0 8 19 2 0 0 0 16 7 2 0 0 0 12 7 1 0 0 0 17 9 1 0 0 0 11 9 1 0 0 0 13 9 2 0 0 0 13 16 1 0 0 0 17 12 2 0 0 0 17 18 1 0 0 0 14 20 1 0 0 0 22 21 2 0 0 0 23 21 2 0 0 0 24 21 1 0 0 0 20 21 1 0 0 0 M END > CHEBI:142787 > 2'-sulfooxytriclocarban > A phenylurea that is urea substituted by 4-chloro-2-sulfooxyphenyl and 3,4-dichlorophenyl groups at positions 1 and 3 respectively. A metabolite of triclocarban. > 3 > Urea, N-(4-chloro-2-(sulfooxy)phenyl)-N-(3,4-dichlorophenyl)-; TCC 2'-OSO3H; sulfate of 2'-OH TCC; N-(4-chloro-2-(sulfooxy)phenyl)-N'-(3,4-dichlorophenyl)urea; 2'-OSO3H TCC; 1-(4-chloro-2-sulfooxyphenyl)-3-(3,4-dichlorophenyl)urea > 5-chloro-2-{[(3,4-dichlorophenyl)carbamoyl]amino}phenyl hydrogen sulfate > C13H9Cl3N2O5S > 411.646 > 409.92978 > 0 > C(NC1=C(C=C(C=C1)Cl)OS(=O)(=O)O)(NC2=CC=C(C(=C2)Cl)Cl)=O > InChI=1S/C13H9Cl3N2O5S/c14-7-1-4-11(12(5-7)23-24(20,21)22)18-13(19)17-8-2-3-9(15)10(16)6-8/h1-6H,(H2,17,18,19)(H,20,21,22) > QQNKOSWYTHSEOP-UHFFFAOYSA-N > 62950-30-5 > 62950-30-5 > 30033524 $$$$