octan-2-yl 4-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)carbonyloxybenzoate

Systemtic Name: octan-2-yl 4-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)carbonyloxybenzoate Openeye Name: 1-methylheptyl 4-(1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carbonyl)oxybenzoate CAS Name: 4-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-oxomethoxy]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(1-octoxy-4-phenylcyclohexa-2,5-diene-1-carbonyl)oxybenzoate Traditional Name: 4-(1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carbonyl)oxybenzoic acid 1-methylheptyl ester Formula: C36H48O5 MolecularWeight: 560.76332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C36H48O5/c1-4-6-8-10-11-16-28-39-36(26-24-31(25-27-36)30-18-14-12-15-19-30)35(38)41-33-22-20-32(21-23-33)34(37)40-29(3)17-13-9-7-5-2/h12,14-15,18-27,29,31H,4-11,13,16-17,28H2,1-3H3