phenyl 1-nonanoyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: phenyl 1-nonanoyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: phenyl 1-nonanoyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-(1-oxononyl)-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid phenyl ester IUPAC Name: phenyl 1-nonanoyl-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-pelargonyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid phenyl ester Formula: C28H32O3 MolecularWeight: 416.55188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(=O)C1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C28H32O3/c1-2-3-4-5-6-13-18-26(29)28(27(30)31-25-16-11-8-12-17-25)21-19-24(20-22-28)23-14-9-7-10-15-23/h7-12,14-17,19-22,24H,2-6,13,18H2,1H3