4-[(Z)-4-carboxy-2-methyl-5-oxidanylidene-hex-3-en-3-yl]benzoic acid

Systemtic Name: 4-[(Z)-4-carboxy-2-methyl-5-oxidanylidene-hex-3-en-3-yl]benzoic acid Openeye Name: 4-[(Z)-2-carboxy-1-isopropyl-3-oxo-but-1-enyl]benzoic acid CAS Name: 4-[(Z)-4-carboxy-2-methyl-5-oxohex-3-en-3-yl]benzoic acid IUPAC Name: 4-[(Z)-4-carboxy-2-methyl-5-oxohex-3-en-3-yl]benzoic acid Traditional Name: 4-[(Z)-2-carboxy-1-isopropyl-3-keto-but-1-enyl]benzoic acid Formula: C15H16O5 MolecularWeight: 276.28454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(C(=O)C)C(=O)O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)/C(=C(\C(=O)C)/C(=O)O)/C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H16O5/c1-8(2)12(13(9(3)16)15(19)20)10-4-6-11(7-5-10)14(17)18/h4-8H,1-3H3,(H,17,18)(H,19,20)/b13-12-