phenylsulfanyl 4-(4-heptylcyclohexyl)benzoate

Systemtic Name: phenylsulfanyl 4-(4-heptylcyclohexyl)benzoate Openeye Name: phenylsulfanyl 4-(4-heptylcyclohexyl)benzoate CAS Name: 4-(4-heptylcyclohexyl)benzoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 4-(4-heptylcyclohexyl)benzoate Traditional Name: 4-(4-heptylcyclohexyl)benzoic acid (phenylthio) ester Formula: C26H34O2S MolecularWeight: 410.61196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)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/h6,8-9,11-12,17-22H,2-5,7,10,13-16H2,1H3