[1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate

Systemtic Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Openeye Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [1-(1-butoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-butoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C35H48O4 MolecularWeight: 532.75322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCC

InChI

InChI=1S/C35H48O4/c1-4-6-8-9-10-11-12-16-28-38-33-21-19-32(20-22-33)34(36)39-35(29(3)37-27-7-5-2)25-23-31(24-26-35)30-17-14-13-15-18-30/h13-15,17-26,29,31H,4-12,16,27-28H2,1-3H3