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

Systemtic Name: [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate Openeye Name: [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate CAS Name: 4-pentadecylbenzoic acid [1-(1-decoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-decoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate Traditional Name: 4-pentadecylbenzoic acid [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C46H70O3 MolecularWeight: 671.0462

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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)OCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C46H70O3/c1-4-6-8-10-12-14-15-16-17-18-19-21-24-28-41-31-33-44(34-32-41)45(47)49-46(37-35-43(36-38-46)42-29-25-23-26-30-42)40(3)48-39-27-22-20-13-11-9-7-5-2/h23,25-26,29-38,40,43H,4-22,24,27-28,39H2,1-3H3