phenylsulfanyl 4-(4-octylphenyl)cyclohexane-1-carboxylate

Systemtic Name: phenylsulfanyl 4-(4-octylphenyl)cyclohexane-1-carboxylate Openeye Name: phenylsulfanyl 4-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-octylphenyl)-1-cyclohexanecarboxylic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 4-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-octylphenyl)cyclohexanecarboxylic acid (phenylthio) ester Formula: C27H36O2S MolecularWeight: 424.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OSC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OSC3=CC=CC=C3

InChI

InChI=1S/C27H36O2S/c1-2-3-4-5-6-8-11-22-14-16-23(17-15-22)24-18-20-25(21-19-24)27(28)29-30-26-12-9-7-10-13-26/h7,9-10,12-17,24-25H,2-6,8,11,18-21H2,1H3