[[6-[3-(4-hydroxyphenyl)butanoyl]-3-oxidanyl-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid

Systemtic Name: [[6-[3-(4-hydroxyphenyl)butanoyl]-3-oxidanyl-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid Openeye Name: [[3-hydroxy-6-[3-(4-hydroxyphenyl)butanoyl]-5-oxo-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid CAS Name: [[3-hydroxy-6-[3-(4-hydroxyphenyl)-1-oxobutyl]-5-oxo-1-cyclohexa-1,3-dienyl]amino]phosphonic acid IUPAC Name: [[3-hydroxy-6-[3-(4-hydroxyphenyl)butanoyl]-5-oxocyclohexa-1,3-dien-1-yl]amino]phosphonic acid Traditional Name: [[3-hydroxy-6-[3-(4-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:

CC(CC(=O)C1C(=CC(=CC1=O)O)NP(=O)(O)O)C2=CC=C(C=C2)O

Isomeric SMILES

CC(CC(=O)C1C(=CC(=CC1=O)O)NP(=O)(O)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H18NO7P/c1-9(10-2-4-11(18)5-3-10)6-14(20)16-13(17-25(22,23)24)7-12(19)8-15(16)21/h2-5,7-9,16,18-19H,6H2,1H3,(H3,17,22,23,24)