[1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [1-(1-octadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-octadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C43H64O3 MolecularWeight: 628.96646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C43H64O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36-45-37(3)43(34-32-40(33-35-43)39-26-22-21-23-27-39)46-42(44)41-30-28-38(29-31-41)25-7-5-2/h21-23,26-35,37,40H,4-20,24-25,36H2,1-3H3