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

Systemtic Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate Openeye Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate CAS Name: 4-pentadecylbenzoic acid [1-(1-methoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-methoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-pentadecylbenzoate Traditional Name: 4-pentadecylbenzoic acid [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C37H52O3 MolecularWeight: 544.80698

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C37H52O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-32-23-25-35(26-24-32)36(38)40-37(31(2)39-3)29-27-34(28-30-37)33-21-18-16-19-22-33/h16,18-19,21-31,34H,4-15,17,20H2,1-3H3