[[6-[2-(3-hydroxyphenyl)butanoyl]-3-oxidanyl-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid

Systemtic Name: [[6-[2-(3-hydroxyphenyl)butanoyl]-3-oxidanyl-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid Openeye Name: [[3-hydroxy-6-[2-(3-hydroxyphenyl)butanoyl]-5-oxo-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid CAS Name: [[3-hydroxy-6-[2-(3-hydroxyphenyl)-1-oxobutyl]-5-oxo-1-cyclohexa-1,3-dienyl]amino]phosphonic acid IUPAC Name: [[3-hydroxy-6-[2-(3-hydroxyphenyl)butanoyl]-5-oxocyclohexa-1,3-dien-1-yl]amino]phosphonic acid Traditional Name: [[3-hydroxy-6-[2-(3-hydroxyphenyl)butanoyl]-5-keto-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid Formula: C16H18NO7P MolecularWeight: 367.290381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)O)C(=O)C2C(=CC(=CC2=O)O)NP(=O)(O)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)O)C(=O)C2C(=CC(=CC2=O)O)NP(=O)(O)O

InChI

InChI=1S/C16H18NO7P/c1-2-12(9-4-3-5-10(18)6-9)16(21)15-13(17-25(22,23)24)7-11(19)8-14(15)20/h3-8,12,15,18-19H,2H2,1H3,(H3,17,22,23,24)