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

Systemtic Name: [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate Openeye Name: [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate CAS Name: 4-octylbenzoic 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-octylbenzoate Traditional Name: 4-octylbenzoic acid [1-(1-decoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C39H56O3 MolecularWeight: 572.86014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCC

InChI

InChI=1S/C39H56O3/c1-4-6-8-10-12-13-15-20-32-41-33(3)39(30-28-36(29-31-39)35-22-18-16-19-23-35)42-38(40)37-26-24-34(25-27-37)21-17-14-11-9-7-5-2/h16,18-19,22-31,33,36H,4-15,17,20-21,32H2,1-3H3