(2-chlorophenyl)sulfanyl 4-heptylcyclohexane-1-carboxylate

Systemtic Name: (2-chlorophenyl)sulfanyl 4-heptylcyclohexane-1-carboxylate Openeye Name: (2-chlorophenyl)sulfanyl 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [(2-chlorophenyl)thio] ester IUPAC Name: (2-chlorophenyl)sulfanyl 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [(2-chlorophenyl)thio] ester Formula: C20H29ClO2S MolecularWeight: 368.96106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OSC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OSC2=CC=CC=C2Cl

InChI

InChI=1S/C20H29ClO2S/c1-2-3-4-5-6-9-16-12-14-17(15-13-16)20(22)23-24-19-11-8-7-10-18(19)21/h7-8,10-11,16-17H,2-6,9,12-15H2,1H3