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

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butoxybenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C43H64O4 MolecularWeight: 644.96586

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C43H64O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36-45-37(3)43(33-31-39(32-34-43)38-25-22-21-23-26-38)47-42(44)40-27-29-41(30-28-40)46-35-7-5-2/h21-23,25-34,37,39H,4-20,24,35-36H2,1-3H3