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

Systemtic Name: (1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-heptylbenzoate Openeye Name: (1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [1-(octylthio)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: (1-octylsulfanyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [1-(octylthio)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C34H46O2S MolecularWeight: 518.79284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCSC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C34H46O2S/c1-3-5-7-9-11-16-28-37-34(26-24-31(25-27-34)30-18-14-12-15-19-30)36-33(35)32-22-20-29(21-23-32)17-13-10-8-6-4-2/h12,14-15,18-27,31H,3-11,13,16-17,28H2,1-2H3