4-[(Z)-4-carboxy-2-methyl-5-oxidanylidene-6-propoxy-hex-3-en-3-yl]benzoic acid

Systemtic Name: 4-[(Z)-4-carboxy-2-methyl-5-oxidanylidene-6-propoxy-hex-3-en-3-yl]benzoic acid Openeye Name: 4-[(Z)-2-carboxy-1-isopropyl-3-oxo-4-propoxy-but-1-enyl]benzoic acid CAS Name: 4-[(Z)-4-carboxy-2-methyl-5-oxo-6-propoxyhex-3-en-3-yl]benzoic acid IUPAC Name: 4-[(Z)-4-carboxy-2-methyl-5-oxo-6-propoxyhex-3-en-3-yl]benzoic acid Traditional Name: 4-[(Z)-2-carboxy-1-isopropyl-3-keto-4-propoxy-but-1-enyl]benzoic acid Formula: C18H22O6 MolecularWeight: 334.36368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6/c1-4-9-24-10-14(19)16(18(22)23)15(11(2)3)12-5-7-13(8-6-12)17(20)21/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)(H,22,23)/b16-15-