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

Systemtic Name: phenylsulfanyl 4-(4-heptylphenyl)cyclohexane-1-carboxylate Openeye Name: phenylsulfanyl 4-(4-heptylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-heptylphenyl)-1-cyclohexanecarboxylic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 4-(4-heptylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-heptylphenyl)cyclohexanecarboxylic acid (phenylthio) ester Formula: C26H34O2S MolecularWeight: 410.61196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OSC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OSC3=CC=CC=C3

InChI

InChI=1S/C26H34O2S/c1-2-3-4-5-7-10-21-13-15-22(16-14-21)23-17-19-24(20-18-23)26(27)28-29-25-11-8-6-9-12-25/h6,8-9,11-16,23-24H,2-5,7,10,17-20H2,1H3