[(S)-(3-nitrophenyl)-phosphonato-methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(S)-(3-nitrophenyl)-phosphonato-methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(S)-(3-nitrophenyl)-phosphonato-methyl]-(2-thienylmethyl)ammonium CAS Name: [(S)-(3-nitrophenyl)-phosphonatomethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(S)-(3-nitrophenyl)-phosphonatomethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(S)-(3-nitrophenyl)-phosphonato-methyl]-(2-thenyl)ammonium Formula: C12H12N2O5PS- MolecularWeight: 327.272841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C([NH2+]CC2=CC=CS2)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[C@@H]([NH2+]CC2=CC=CS2)P(=O)([O-])[O-]

InChI

InChI=1S/C12H13N2O5PS/c15-14(16)10-4-1-3-9(7-10)12(20(17,18)19)13-8-11-5-2-6-21-11/h1-7,12-13H,8H2,(H2,17,18,19)/p-1/t12-/m0/s1