phenyl 4-(4-hexylcyclohexen-1-yl)nonanoate

Systemtic Name: phenyl 4-(4-hexylcyclohexen-1-yl)nonanoate Openeye Name: phenyl 4-(4-hexylcyclohexen-1-yl)nonanoate CAS Name: 4-(4-hexyl-1-cyclohexenyl)nonanoic acid phenyl ester IUPAC Name: phenyl 4-(4-hexylcyclohexen-1-yl)nonanoate Traditional Name: 4-(4-hexylcyclohexen-1-yl)pelargonic acid phenyl ester Formula: C27H42O2 MolecularWeight: 398.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(=CC1)C(CCCCC)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1CCC(=CC1)C(CCCCC)CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C27H42O2/c1-3-5-7-10-13-23-17-19-25(20-18-23)24(14-9-6-4-2)21-22-27(28)29-26-15-11-8-12-16-26/h8,11-12,15-16,19,23-24H,3-7,9-10,13-14,17-18,20-22H2,1-2H3