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

Systemtic Name: [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate Openeye Name: [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate CAS Name: 4-dodecylbenzoic 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-dodecylbenzoate Traditional Name: 4-laurylbenzoic acid [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C43H64O3 MolecularWeight: 628.96646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCCCCCC

InChI

InChI=1S/C43H64O3/c1-4-6-8-10-12-14-15-16-18-21-25-38-28-30-41(31-29-38)42(44)46-43(34-32-40(33-35-43)39-26-22-20-23-27-39)37(3)45-36-24-19-17-13-11-9-7-5-2/h20,22-23,26-35,37,40H,4-19,21,24-25,36H2,1-3H3