(1-nonanoyloxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 2,2-dimethylcyclopropane-1-carboxylate

Systemtic Name: (1-nonanoyloxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 2,2-dimethylcyclopropane-1-carboxylate Openeye Name: (1-nonanoyloxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 2,2-dimethylcyclopropanecarboxylate CAS Name: 2,2-dimethyl-1-cyclopropanecarboxylic acid [1-(1-oxononoxy)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: (1-nonanoyloxy-4-phenylcyclohexa-2,5-dien-1-yl) 2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 2,2-dimethylcyclopropanecarboxylic acid (1-pelargonyloxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3CC3(C)C

Isomeric SMILES

CCCCCCCCC(=O)OC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3CC3(C)C

InChI

InChI=1S/C27H36O4/c1-4-5-6-7-8-12-15-24(28)30-27(31-25(29)23-20-26(23,2)3)18-16-22(17-19-27)21-13-10-9-11-14-21/h9-11,13-14,16-19,22-23H,4-8,12,15,20H2,1-3H3