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

Systemtic Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate Openeye Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate CAS Name: 4-dodecylbenzoic acid [1-(1-octoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-octoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate Traditional Name: 4-laurylbenzoic acid [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C41H60O3 MolecularWeight: 600.9133

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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)OCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C41H60O3/c1-4-6-8-10-12-13-14-15-16-19-23-36-26-28-39(29-27-36)40(42)44-41(35(3)43-34-22-17-11-9-7-5-2)32-30-38(31-33-41)37-24-20-18-21-25-37/h18,20-21,24-33,35,38H,4-17,19,22-23,34H2,1-3H3