[1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate

Systemtic Name: [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate Openeye Name: [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate CAS Name: 4-pentadecylbenzoic acid [1-(1-hexoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate Traditional Name: 4-pentadecylbenzoic acid [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C42H62O3 MolecularWeight: 614.93988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCC

InChI

InChI=1S/C42H62O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-24-37-27-29-40(30-28-37)41(43)45-42(36(3)44-35-23-9-7-5-2)33-31-39(32-34-42)38-25-21-19-22-26-38/h19,21-22,25-34,36,39H,4-18,20,23-24,35H2,1-3H3