[[6-[3-(3-hydroxyphenyl)butanoyl]-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]amino]phosphonic acid

Systemtic Name: [[6-[3-(3-hydroxyphenyl)butanoyl]-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]amino]phosphonic acid Openeye Name: [[6-[3-(3-hydroxyphenyl)butanoyl]-3-oxo-cyclohexa-1,4-dien-1-yl]amino]phosphonic acid CAS Name: [[6-[3-(3-hydroxyphenyl)-1-oxobutyl]-3-oxo-1-cyclohexa-1,4-dienyl]amino]phosphonic acid IUPAC Name: [[6-[3-(3-hydroxyphenyl)butanoyl]-3-oxocyclohexa-1,4-dien-1-yl]amino]phosphonic acid Traditional Name: [[6-[3-(3-hydroxyphenyl)butanoyl]-3-keto-cyclohexa-1,4-dien-1-yl]amino]phosphonic acid Formula: C16H18NO6P MolecularWeight: 351.290981

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1C=CC(=O)C=C1NP(=O)(O)O)C2=CC(=CC=C2)O

Isomeric SMILES

CC(CC(=O)C1C=CC(=O)C=C1NP(=O)(O)O)C2=CC(=CC=C2)O

InChI

InChI=1S/C16H18NO6P/c1-10(11-3-2-4-12(18)8-11)7-16(20)14-6-5-13(19)9-15(14)17-24(21,22)23/h2-6,8-10,14,18H,7H2,1H3,(H3,17,21,22,23)