4-oxidanyl-3-[[phosphonomethyl-[2-(phosphonomethylamino)ethyl]amino]methyl]benzenesulfonic acid

Systemtic Name: 4-oxidanyl-3-[[phosphonomethyl-[2-(phosphonomethylamino)ethyl]amino]methyl]benzenesulfonic acid Openeye Name: 4-hydroxy-3-[[phosphonomethyl-[2-(phosphonomethylamino)ethyl]amino]methyl]benzenesulfonic acid CAS Name: 4-hydroxy-3-[[phosphonomethyl-[2-(phosphonomethylamino)ethyl]amino]methyl]benzenesulfonic acid IUPAC Name: 4-hydroxy-3-[[phosphonomethyl-[2-(phosphonomethylamino)ethyl]amino]methyl]benzenesulfonic acid Traditional Name: 4-hydroxy-3-[[phosphonomethyl-[2-(phosphonomethylamino)ethyl]amino]methyl]besylic acid Formula: C11H20N2O10P2S MolecularWeight: 434.296422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)CN(CCNCP(=O)(O)O)CP(=O)(O)O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)CN(CCNCP(=O)(O)O)CP(=O)(O)O)O

InChI

InChI=1S/C11H20N2O10P2S/c14-11-2-1-10(26(21,22)23)5-9(11)6-13(8-25(18,19)20)4-3-12-7-24(15,16)17/h1-2,5,12,14H,3-4,6-8H2,(H2,15,16,17)(H2,18,19,20)(H,21,22,23)