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

Systemtic Name: (1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-octoxybenzoate Openeye Name: (1-octylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [1-(octylthio)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: (1-octylsulfanyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [1-(octylthio)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C35H48O3S MolecularWeight: 548.81882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)SCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)SCCCCCCCC

InChI

InChI=1S/C35H48O3S/c1-3-5-7-9-11-16-28-37-33-22-20-32(21-23-33)34(36)38-35(39-29-17-12-10-8-6-4-2)26-24-31(25-27-35)30-18-14-13-15-19-30/h13-15,18-27,31H,3-12,16-17,28-29H2,1-2H3