4-(4-hexylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(4-hexylphenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(4-hexylphenyl)-4-oxo-butanoate CAS Name: 4-(4-hexylphenyl)-4-oxobutanoate IUPAC Name: 4-(4-hexylphenyl)-4-oxobutanoate Traditional Name: 4-(4-hexylphenyl)-4-keto-butyrate Formula: C16H21O3- MolecularWeight: 261.33614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H22O3/c1-2-3-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16(18)19/h7-10H,2-6,11-12H2,1H3,(H,18,19)/p-1