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

Systemtic Name: [[6-[4-(4-hydroxyphenyl)butanoyl]-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid Openeye Name: [[6-[4-(4-hydroxyphenyl)butanoyl]-5-oxo-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid CAS Name: [[6-[4-(4-hydroxyphenyl)-1-oxobutyl]-5-oxo-1-cyclohexa-1,3-dienyl]amino]phosphonic acid IUPAC Name: [[6-[4-(4-hydroxyphenyl)butanoyl]-5-oxocyclohexa-1,3-dien-1-yl]amino]phosphonic acid Traditional Name: [[6-[4-(4-hydroxyphenyl)butanoyl]-5-keto-cyclohexa-1,3-dien-1-yl]amino]phosphonic acid Formula: C16H18NO6P MolecularWeight: 351.290981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(C(=C1)NP(=O)(O)O)C(=O)CCCC2=CC=C(C=C2)O

Isomeric SMILES

C1=CC(=O)C(C(=C1)NP(=O)(O)O)C(=O)CCCC2=CC=C(C=C2)O

InChI

InChI=1S/C16H18NO6P/c18-12-9-7-11(8-10-12)3-1-5-14(19)16-13(17-24(21,22)23)4-2-6-15(16)20/h2,4,6-10,16,18H,1,3,5H2,(H3,17,21,22,23)