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

Systemtic Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate Openeye Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate CAS Name: 4-dodecylbenzoic 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-dodecylbenzoate Traditional Name: 4-laurylbenzoic acid [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C34H46O3 MolecularWeight: 502.72724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H46O3/c1-4-5-6-7-8-9-10-11-12-14-17-29-20-22-32(23-21-29)33(35)37-34(28(2)36-3)26-24-31(25-27-34)30-18-15-13-16-19-30/h13,15-16,18-28,31H,4-12,14,17H2,1-3H3