S-(4-chlorophenyl) 4-[2,4-bis(chloranyl)phenoxy]-3-nitro-benzenecarbothioate

Systemtic Name: S-(4-chlorophenyl) 4-[2,4-bis(chloranyl)phenoxy]-3-nitro-benzenecarbothioate Openeye Name: S-(4-chlorophenyl) 4-(2,4-dichlorophenoxy)-3-nitro-benzenecarbothioate CAS Name: 4-(2,4-dichlorophenoxy)-3-nitrobenzenecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 4-(2,4-dichlorophenoxy)-3-nitrobenzenecarbothioate Traditional Name: 4-(2,4-dichlorophenoxy)-3-nitro-thiobenzoic acid S-(4-chlorophenyl) ester Formula: C19H10Cl3NO4S MolecularWeight: 454.711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H10Cl3NO4S/c20-12-2-5-14(6-3-12)28-19(24)11-1-7-18(16(9-11)23(25)26)27-17-8-4-13(21)10-15(17)22/h1-10H