[[6-[2-(4-hydroxyphenyl)-1-oxidanyl-butyl]-3-oxidanyl-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid

Systemtic Name: [[6-[2-(4-hydroxyphenyl)-1-oxidanyl-butyl]-3-oxidanyl-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid Openeye Name: [[3-hydroxy-6-[1-hydroxy-2-(4-hydroxyphenyl)butyl]-5-oxo-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid CAS Name: [[3-hydroxy-6-[1-hydroxy-2-(4-hydroxyphenyl)butyl]-5-oxo-1-cyclohexa-1,3-dienyl]amino]phosphonic acid IUPAC Name: [[3-hydroxy-6-[1-hydroxy-2-(4-hydroxyphenyl)butyl]-5-oxocyclohexa-1,3-dien-1-yl]amino]phosphonic acid Traditional Name: [[3-hydroxy-6-[1-hydroxy-2-(4-hydroxyphenyl)butyl]-5-keto-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid Formula: C16H20NO7P MolecularWeight: 369.306261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NO7P/c1-2-12(9-3-5-10(18)6-4-9)16(21)15-13(17-25(22,23)24)7-11(19)8-14(15)20/h3-8,12,15-16,18-19,21H,2H2,1H3,(H3,17,22,23,24)