3-[(1,1-diphosphonoethylamino)methyl]-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[(1,1-diphosphonoethylamino)methyl]-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-[(1,1-diphosphonoethylamino)methyl]-4-hydroxy-benzenesulfonic acid CAS Name: 3-[(1,1-diphosphonoethylamino)methyl]-4-hydroxybenzenesulfonic acid IUPAC Name: 3-[(1,1-diphosphonoethylamino)methyl]-4-hydroxybenzenesulfonic acid Traditional Name: 3-[(1,1-diphosphonoethylamino)methyl]-4-hydroxy-besylic acid Formula: C9H15NO10P2S MolecularWeight: 391.228622

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC1=C(C=CC(=C1)S(=O)(=O)O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(NCC1=C(C=CC(=C1)S(=O)(=O)O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H15NO10P2S/c1-9(21(12,13)14,22(15,16)17)10-5-6-4-7(23(18,19)20)2-3-8(6)11/h2-4,10-11H,5H2,1H3,(H2,12,13,14)(H2,15,16,17)(H,18,19,20)