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

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

C1=CC(=CC=C1CCCC(=O)C2C(=CC(=CC2=O)O)NP(=O)(O)O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)C2C(=CC(=CC2=O)O)NP(=O)(O)O)O

InChI

InChI=1S/C16H18NO7P/c18-11-6-4-10(5-7-11)2-1-3-14(20)16-13(17-25(22,23)24)8-12(19)9-15(16)21/h4-9,16,18-19H,1-3H2,(H3,17,22,23,24)