[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[(2,3-dihydroxybenzoyl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[(2,3-dihydroxybenzoyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[(2,3-dihydroxybenzoyl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C11H17NO10P2 MolecularWeight: 385.200902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)O)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=C(C(=C1)O)O)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H17NO10P2/c13-8-4-1-3-7(9(8)14)10(15)12-6-2-5-11(16,23(17,18)19)24(20,21)22/h1,3-4,13-14,16H,2,5-6H2,(H,12,15)(H2,17,18,19)(H2,20,21,22)