phenylsulfanyl 4-(4-octylcyclohexyl)benzoate

Systemtic Name: phenylsulfanyl 4-(4-octylcyclohexyl)benzoate Openeye Name: phenylsulfanyl 4-(4-octylcyclohexyl)benzoate CAS Name: 4-(4-octylcyclohexyl)benzoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 4-(4-octylcyclohexyl)benzoate Traditional Name: 4-(4-octylcyclohexyl)benzoic acid (phenylthio) ester Formula: C27H36O2S MolecularWeight: 424.63854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)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/h7,9-10,12-13,18-23H,2-6,8,11,14-17H2,1H3