phenyl (2Z)-3-methyl-3-oxidanyl-2-pentylidene-nonanoate

Systemtic Name: phenyl (2Z)-3-methyl-3-oxidanyl-2-pentylidene-nonanoate Openeye Name: phenyl (2Z)-3-hydroxy-3-methyl-2-pentylidene-nonanoate CAS Name: (2Z)-3-hydroxy-3-methyl-2-pentylidenenonanoic acid phenyl ester IUPAC Name: phenyl (2Z)-3-hydroxy-3-methyl-2-pentylidenenonanoate Traditional Name: (Z)-2-(1-hydroxy-1-methyl-heptyl)hept-2-enoic acid phenyl ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(=CCCCC)C(=O)OC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCC(C)(/C(=C/CCCC)/C(=O)OC1=CC=CC=C1)O

InChI

InChI=1S/C21H32O3/c1-4-6-8-13-17-21(3,23)19(16-10-7-5-2)20(22)24-18-14-11-9-12-15-18/h9,11-12,14-16,23H,4-8,10,13,17H2,1-3H3/b19-16+