phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)nonanoate

Systemtic Name: phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)nonanoate Openeye Name: phenyl 4-[4-(1-methylhexyl)cyclohexen-1-yl]nonanoate CAS Name: 4-(4-heptan-2-yl-1-cyclohexenyl)nonanoic acid phenyl ester IUPAC Name: phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)nonanoate Traditional Name: 4-[4-(1-methylhexyl)cyclohexen-1-yl]pelargonic acid phenyl ester Formula: C28H44O2 MolecularWeight: 412.64776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC(=CC1)C(CCCCC)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)C1CCC(=CC1)C(CCCCC)CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C28H44O2/c1-4-6-9-13-23(3)24-17-19-26(20-18-24)25(14-10-7-5-2)21-22-28(29)30-27-15-11-8-12-16-27/h8,11-12,15-16,19,23-25H,4-7,9-10,13-14,17-18,20-22H2,1-3H3