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

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [1-(1-hexadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [1-(1-cetyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C41H60O3 MolecularWeight: 600.9133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H60O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-22-34-43-35(3)41(32-30-38(31-33-41)37-24-20-19-21-25-37)44-40(42)39-28-26-36(27-29-39)23-7-5-2/h19-21,24-33,35,38H,4-18,22-23,34H2,1-3H3