4-[2-[2-(4-aminophenyl)-2-phosphonato-ethyl]sulfonyl-1-phosphonato-ethyl]aniline

Systemtic Name: 4-[2-[2-(4-aminophenyl)-2-phosphonato-ethyl]sulfonyl-1-phosphonato-ethyl]aniline Openeye Name: 4-[2-[2-(4-aminophenyl)-2-phosphonato-ethyl]sulfonyl-1-phosphonato-ethyl]aniline CAS Name: 4-[2-[2-(4-aminophenyl)-2-phosphonatoethyl]sulfonyl-1-phosphonatoethyl]aniline IUPAC Name: 4-[2-[2-(4-aminophenyl)-2-phosphonatoethyl]sulfonyl-1-phosphonatoethyl]aniline Traditional Name: [4-[2-[2-(4-aminophenyl)-2-phosphonato-ethyl]sulfonyl-1-phosphonato-ethyl]phenyl]amine Formula: C16H18N2O8P2S-4 MolecularWeight: 460.335242

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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)/p-4