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

Systemtic Name: [[2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-phenyl]-oxidanyl-methyl]phosphonic acid Openeye Name: [[2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-phenyl]-hydroxy-methyl]phosphonic acid CAS Name: [[2-[(4-chlorophenyl)methylthio]-5-nitrophenyl]-hydroxymethyl]phosphonic acid IUPAC Name: [[2-[(4-chlorophenyl)methylsulfanyl]-5-nitrophenyl]-hydroxymethyl]phosphonic acid Traditional Name: [[2-[(4-chlorobenzyl)thio]-5-nitro-phenyl]-hydroxy-methyl]phosphonic acid Formula: C14H13ClNO6PS MolecularWeight: 389.747881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O)Cl

InChI

InChI=1S/C14H13ClNO6PS/c15-10-3-1-9(2-4-10)8-24-13-6-5-11(16(18)19)7-12(13)14(17)23(20,21)22/h1-7,14,17H,8H2,(H2,20,21,22)