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

Systemtic Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate Openeye Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate CAS Name: 4-octylbenzoic 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-octylbenzoate Traditional Name: 4-octylbenzoic acid [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C37H52O3 MolecularWeight: 544.80698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCCCC

InChI

InChI=1S/C37H52O3/c1-4-6-8-10-12-15-19-32-22-24-35(25-23-32)36(38)40-37(31(3)39-30-18-13-11-9-7-5-2)28-26-34(27-29-37)33-20-16-14-17-21-33/h14,16-17,20-29,31,34H,4-13,15,18-19,30H2,1-3H3