3-(2-dodecylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: 3-(2-dodecylphenyl)-3-oxidanylidene-propanoate Openeye Name: 3-(2-dodecylphenyl)-3-oxo-propanoate CAS Name: 3-(2-dodecylphenyl)-3-oxopropanoate IUPAC Name: 3-(2-dodecylphenyl)-3-oxopropanoate Traditional Name: 3-keto-3-(2-laurylphenyl)propionate Formula: C21H31O3- MolecularWeight: 331.46904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(=O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(=O)CC(=O)[O-]

InChI

InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)20(22)17-21(23)24/h12-13,15-16H,2-11,14,17H2,1H3,(H,23,24)/p-1