[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-oxidanyl-methyl]phosphonic acid

Systemtic Name: [[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-oxidanyl-methyl]phosphonic acid Openeye Name: [[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-hydroxy-methyl]phosphonic acid CAS Name: [[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-hydroxymethyl]phosphonic acid IUPAC Name: [[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]-hydroxymethyl]phosphonic acid Traditional Name: [[2-[(4-chlorophenyl)thio]-5-nitro-phenyl]-hydroxy-methyl]phosphonic acid Formula: C13H11ClNO6PS MolecularWeight: 375.721301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O)Cl

InChI

InChI=1S/C13H11ClNO6PS/c14-8-1-4-10(5-2-8)23-12-6-3-9(15(17)18)7-11(12)13(16)22(19,20)21/h1-7,13,16H,(H2,19,20,21)