[1-(4-aminophenyl)-2-[2-(4-aminophenyl)-2-phosphono-ethyl]sulfonyl-ethyl]phosphonic acid

Systemtic Name: [1-(4-aminophenyl)-2-[2-(4-aminophenyl)-2-phosphono-ethyl]sulfonyl-ethyl]phosphonic acid Openeye Name: [1-(4-aminophenyl)-2-[2-(4-aminophenyl)-2-phosphono-ethyl]sulfonyl-ethyl]phosphonic acid CAS Name: [1-(4-aminophenyl)-2-[2-(4-aminophenyl)-2-phosphonoethyl]sulfonylethyl]phosphonic acid IUPAC Name: [1-(4-aminophenyl)-2-[2-(4-aminophenyl)-2-phosphonoethyl]sulfonylethyl]phosphonic acid Traditional Name: [1-(4-aminophenyl)-2-[2-(4-aminophenyl)-2-phosphono-ethyl]sulfonyl-ethyl]phosphonic acid Formula: C16H22N2O8P2S MolecularWeight: 464.367002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CS(=O)(=O)CC(C2=CC=C(C=C2)N)P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(CS(=O)(=O)CC(C2=CC=C(C=C2)N)P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C16H22N2O8P2S/c17-13-5-1-11(2-6-13)15(27(19,20)21)9-29(25,26)10-16(28(22,23)24)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10,17-18H2,(H2,19,20,21)(H2,22,23,24)