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

Systemtic Name: [2-(4-aminophenyl)-1-phosphono-2-[(2-sulfanylphenyl)amino]ethyl]phosphonic acid Openeye Name: [2-(4-aminophenyl)-1-phosphono-2-(2-sulfanylanilino)ethyl]phosphonic acid CAS Name: [2-(4-aminophenyl)-2-(2-mercaptoanilino)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-aminophenyl)-1-phosphono-2-(2-sulfanylanilino)ethyl]phosphonic acid Traditional Name: [2-(4-aminophenyl)-2-(2-mercaptoanilino)-1-phosphono-ethyl]phosphonic acid Formula: C14H18N2O6P2S MolecularWeight: 404.315042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(C2=CC=C(C=C2)N)C(P(=O)(O)O)P(=O)(O)O)S

Isomeric SMILES

C1=CC=C(C(=C1)NC(C2=CC=C(C=C2)N)C(P(=O)(O)O)P(=O)(O)O)S

InChI

InChI=1S/C14H18N2O6P2S/c15-10-7-5-9(6-8-10)13(14(23(17,18)19)24(20,21)22)16-11-3-1-2-4-12(11)25/h1-8,13-14,16,25H,15H2,(H2,17,18,19)(H2,20,21,22)