[4-[(2-acetyloxyphenyl)carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[(2-acetyloxyphenyl)carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[(2-acetoxybenzoyl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[(2-acetyloxyphenyl)-oxomethyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[(2-acetyloxybenzoyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[(2-acetoxybenzoyl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C13H19NO10P2 MolecularWeight: 411.238182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H19NO10P2/c1-9(15)24-11-6-3-2-5-10(11)12(16)14-8-4-7-13(17,25(18,19)20)26(21,22)23/h2-3,5-6,17H,4,7-8H2,1H3,(H,14,16)(H2,18,19,20)(H2,21,22,23)