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

Systemtic Name: (1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-nonylbenzoate Openeye Name: (1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-nonylbenzoate CAS Name: 4-nonylbenzoic acid [1-(octylthio)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: (1-octylsulfanyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-nonylbenzoate Traditional Name: 4-nonylbenzoic acid [1-(octylthio)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C36H50O2S MolecularWeight: 546.846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)SCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)SCCCCCCCC

InChI

InChI=1S/C36H50O2S/c1-3-5-7-9-11-12-15-19-31-22-24-34(25-23-31)35(37)38-36(39-30-18-13-10-8-6-4-2)28-26-33(27-29-36)32-20-16-14-17-21-32/h14,16-17,20-29,33H,3-13,15,18-19,30H2,1-2H3