(1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-octylbenzoate

Systemtic Name: (1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-octylbenzoate Openeye Name: (1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-octylbenzoate CAS Name: 4-octylbenzoic acid [1-(octylthio)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: (1-octylsulfanyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [1-(octylthio)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C35H48O2S MolecularWeight: 532.81942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)SCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)SCCCCCCCC

InChI

InChI=1S/C35H48O2S/c1-3-5-7-9-11-14-18-30-21-23-33(24-22-30)34(36)37-35(38-29-17-12-10-8-6-4-2)27-25-32(26-28-35)31-19-15-13-16-20-31/h13,15-16,19-28,32H,3-12,14,17-18,29H2,1-2H3