2-(4-nonylphenyl)-4-(oxiran-2-yl)butanoate

Systemtic Name: 2-(4-nonylphenyl)-4-(oxiran-2-yl)butanoate Openeye Name: 2-(4-nonylphenyl)-4-(oxiran-2-yl)butanoate CAS Name: 2-(4-nonylphenyl)-4-(2-oxiranyl)butanoate IUPAC Name: 2-(4-nonylphenyl)-4-(oxiran-2-yl)butanoate Traditional Name: 2-(4-nonylphenyl)-4-(oxiran-2-yl)butyrate Formula: C21H31O3- MolecularWeight: 331.46904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCC2CO2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCC2CO2)C(=O)[O-]

InChI

InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)20(21(22)23)15-14-19-16-24-19/h10-13,19-20H,2-9,14-16H2,1H3,(H,22,23)/p-1