phenylsulfanyl 4-(4-octoxycyclohexyl)benzoate

Systemtic Name: phenylsulfanyl 4-(4-octoxycyclohexyl)benzoate Openeye Name: phenylsulfanyl 4-(4-octoxycyclohexyl)benzoate CAS Name: 4-(4-octoxycyclohexyl)benzoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 4-(4-octoxycyclohexyl)benzoate Traditional Name: 4-(4-octoxycyclohexyl)benzoic acid (phenylthio) ester Formula: C27H36O3S MolecularWeight: 440.63794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3

InChI

InChI=1S/C27H36O3S/c1-2-3-4-5-6-10-21-29-25-19-17-23(18-20-25)22-13-15-24(16-14-22)27(28)30-31-26-11-8-7-9-12-26/h7-9,11-16,23,25H,2-6,10,17-21H2,1H3