S-(4-methylphenyl) 3,5-bis(chloranyl)-4-heptoxy-benzenecarbothioate

Systemtic Name: S-(4-methylphenyl) 3,5-bis(chloranyl)-4-heptoxy-benzenecarbothioate Openeye Name: S-(p-tolyl) 3,5-dichloro-4-heptoxy-benzenecarbothioate CAS Name: 3,5-dichloro-4-heptoxybenzenecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 3,5-dichloro-4-heptoxybenzenecarbothioate Traditional Name: 3,5-dichloro-4-heptoxy-thiobenzoic acid S-(p-tolyl) ester Formula: C21H24Cl2O2S MolecularWeight: 411.38506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1Cl)C(=O)SC2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1Cl)C(=O)SC2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C21H24Cl2O2S/c1-3-4-5-6-7-12-25-20-18(22)13-16(14-19(20)23)21(24)26-17-10-8-15(2)9-11-17/h8-11,13-14H,3-7,12H2,1-2H3