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

Systemtic Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Openeye Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [1-(1-octoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-octoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C39H56O4 MolecularWeight: 588.85954

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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)OCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C39H56O4/c1-4-6-8-10-12-13-15-20-32-42-37-25-23-36(24-26-37)38(40)43-39(33(3)41-31-19-14-11-9-7-5-2)29-27-35(28-30-39)34-21-17-16-18-22-34/h16-18,21-30,33,35H,4-15,19-20,31-32H2,1-3H3