4-(2-carboxy-4-methyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(2-carboxy-4-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(2-carboxy-4-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-carboxy-4-methylphenyl)-4-oxobutanoate IUPAC Name: 4-(2-carboxy-4-methylphenyl)-4-oxobutanoate Traditional Name: 4-(2-carboxy-4-methyl-phenyl)-4-keto-butyrate Formula: C12H11O5- MolecularWeight: 235.21274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CCC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CCC(=O)[O-])C(=O)O

InChI

InChI=1S/C12H12O5/c1-7-2-3-8(9(6-7)12(16)17)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,16,17)/p-1