[6-[(3-carboxyoxy-6-chloranyl-1-methyl-4-oxidanylidene-quinolin-7-yl)amino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-[(3-carboxyoxy-6-chloranyl-1-methyl-4-oxidanylidene-quinolin-7-yl)amino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [6-[(3-carboxyoxy-6-chloro-1-methyl-4-oxo-7-quinolyl)amino]-1-hydroxy-1-phosphono-hexyl]phosphonic acid CAS Name: [6-[(3-carboxyoxy-6-chloro-1-methyl-4-oxo-7-quinolinyl)amino]-1-hydroxy-1-phosphonohexyl]phosphonic acid IUPAC Name: [6-[(3-carboxyoxy-6-chloro-1-methyl-4-oxoquinolin-7-yl)amino]-1-hydroxy-1-phosphonohexyl]phosphonic acid Traditional Name: [6-[(3-carboxyoxy-6-chloro-4-keto-1-methyl-7-quinolyl)amino]-1-hydroxy-1-phosphono-hexyl]phosphonic acid Formula: C17H23ClN2O11P2 MolecularWeight: 528.771842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O)Cl)OC(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O)Cl)OC(=O)O

InChI

InChI=1S/C17H23ClN2O11P2/c1-20-9-14(31-16(22)23)15(21)10-7-11(18)12(8-13(10)20)19-6-4-2-3-5-17(24,32(25,26)27)33(28,29)30/h7-9,19,24H,2-6H2,1H3,(H,22,23)(H2,25,26,27)(H2,28,29,30)