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

Systemtic Name: [[6-[4-(3-hydroxyphenyl)-1,1-bis(oxidanyl)butyl]-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]amino]phosphonic acid Openeye Name: [[6-[1,1-dihydroxy-4-(3-hydroxyphenyl)butyl]-3-oxo-cyclohexa-1,4-dien-1-yl]amino]phosphonic acid CAS Name: [[6-[1,1-dihydroxy-4-(3-hydroxyphenyl)butyl]-3-oxo-1-cyclohexa-1,4-dienyl]amino]phosphonic acid IUPAC Name: [[6-[1,1-dihydroxy-4-(3-hydroxyphenyl)butyl]-3-oxocyclohexa-1,4-dien-1-yl]amino]phosphonic acid Traditional Name: [[6-[1,1-dihydroxy-4-(3-hydroxyphenyl)butyl]-3-keto-cyclohexa-1,4-dien-1-yl]amino]phosphonic acid Formula: C16H20NO7P MolecularWeight: 369.306261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CCCC(C2C=CC(=O)C=C2NP(=O)(O)O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)CCCC(C2C=CC(=O)C=C2NP(=O)(O)O)(O)O

InChI

InChI=1S/C16H20NO7P/c18-12-5-1-3-11(9-12)4-2-8-16(20,21)14-7-6-13(19)10-15(14)17-25(22,23)24/h1,3,5-7,9-10,14,18,20-21H,2,4,8H2,(H3,17,22,23,24)