5-(8-chloranyl-2-ethoxy-1H-isophosphinolin-4-yl)-6-methyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 5-(8-chloranyl-2-ethoxy-1H-isophosphinolin-4-yl)-6-methyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 5-(8-chloro-2-ethoxy-1H-isophosphinolin-4-yl)-6-methyl-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 5-(8-chloro-2-ethoxy-1H-isophosphinolin-4-yl)-6-methyl-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 5-(8-chloro-2-ethoxy-1H-isophosphinolin-4-yl)-6-methyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 5-(8-chloro-2-ethoxy-1H-isophosphinolin-4-yl)-4-keto-6-methyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C19H18ClO4P MolecularWeight: 376.770581

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Descriptors Computed from Structure

Canonical SMILES:

CCOP1CC2=C(C=CC=C2Cl)C(=C1)C3=C(C(=CCC3=O)C(=O)O)C

Isomeric SMILES

CCOP1CC2=C(C=CC=C2Cl)C(=C1)C3=C(C(=CCC3=O)C(=O)O)C

InChI

InChI=1S/C19H18ClO4P/c1-3-24-25-9-14-13(5-4-6-16(14)20)15(10-25)18-11(2)12(19(22)23)7-8-17(18)21/h4-7,10H,3,8-9H2,1-2H3,(H,22,23)