[1-(2-chloranyl-3-methyl-butanoyl)oxy-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octoxybenzoate

Systemtic Name: [1-(2-chloranyl-3-methyl-butanoyl)oxy-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octoxybenzoate Openeye Name: [1-(2-chloro-3-methyl-butanoyl)oxy-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [1-(2-chloro-3-methyl-1-oxobutoxy)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(2-chloro-3-methylbutanoyl)oxy-4-phenylcyclohexa-2,5-dien-1-yl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [1-(2-chloro-3-methyl-butanoyl)oxy-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C32H39ClO5 MolecularWeight: 539.10206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C32H39ClO5/c1-4-5-6-7-8-12-23-36-28-17-15-27(16-18-28)30(34)37-32(38-31(35)29(33)24(2)3)21-19-26(20-22-32)25-13-10-9-11-14-25/h9-11,13-22,24,26,29H,4-8,12,23H2,1-3H3