heptyl 1-(4-methylhexyl)-3,4-diphenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: heptyl 1-(4-methylhexyl)-3,4-diphenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: heptyl 1-(4-methylhexyl)-3,4-diphenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-(4-methylhexyl)-3,4-diphenyl-1-cyclohexa-2,5-dienecarboxylic acid heptyl ester IUPAC Name: heptyl 1-(4-methylhexyl)-3,4-diphenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-(4-methylhexyl)-3,4-diphenyl-cyclohexa-2,5-diene-1-carboxylic acid heptyl ester Formula: C33H44O2 MolecularWeight: 472.70126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1(C=CC(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CCCC(C)CC

Isomeric SMILES

CCCCCCCOC(=O)C1(C=CC(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CCCC(C)CC

InChI

InChI=1S/C33H44O2/c1-4-6-7-8-15-25-35-32(34)33(23-16-17-27(3)5-2)24-22-30(28-18-11-9-12-19-28)31(26-33)29-20-13-10-14-21-29/h9-14,18-22,24,26-27,30H,4-8,15-17,23,25H2,1-3H3