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

Systemtic Name: phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)heptanoate Openeye Name: phenyl 4-[4-(1-methylhexyl)cyclohexen-1-yl]heptanoate CAS Name: 4-(4-heptan-2-yl-1-cyclohexenyl)heptanoic acid phenyl ester IUPAC Name: phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)heptanoate Traditional Name: 4-[4-(1-methylhexyl)cyclohexen-1-yl]enanthic acid phenyl ester Formula: C26H40O2 MolecularWeight: 384.5946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O2/c1-4-6-8-12-21(3)22-15-17-24(18-16-22)23(11-5-2)19-20-26(27)28-25-13-9-7-10-14-25/h7,9-10,13-14,17,21-23H,4-6,8,11-12,15-16,18-20H2,1-3H3