[[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-oxidanyl-methyl]phosphonic acid

Systemtic Name: [[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-oxidanyl-methyl]phosphonic acid Openeye Name: [[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-hydroxy-methyl]phosphonic acid CAS Name: [[4-[(4-bromophenyl)thio]-3-nitrophenyl]-hydroxymethyl]phosphonic acid IUPAC Name: [[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-hydroxymethyl]phosphonic acid Traditional Name: [[4-[(4-bromophenyl)thio]-3-nitro-phenyl]-hydroxy-methyl]phosphonic acid Formula: C13H11BrNO6PS MolecularWeight: 420.172301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrNO6PS/c14-9-2-4-10(5-3-9)23-12-6-1-8(7-11(12)15(17)18)13(16)22(19,20)21/h1-7,13,16H,(H2,19,20,21)