[[2-(3,4-dimethoxyphenyl)sulfanyl-5-nitro-phenyl]-oxidanyl-methyl]phosphonic acid

Systemtic Name: [[2-(3,4-dimethoxyphenyl)sulfanyl-5-nitro-phenyl]-oxidanyl-methyl]phosphonic acid Openeye Name: [[2-(3,4-dimethoxyphenyl)sulfanyl-5-nitro-phenyl]-hydroxy-methyl]phosphonic acid CAS Name: [[2-[(3,4-dimethoxyphenyl)thio]-5-nitrophenyl]-hydroxymethyl]phosphonic acid IUPAC Name: [[2-(3,4-dimethoxyphenyl)sulfanyl-5-nitrophenyl]-hydroxymethyl]phosphonic acid Traditional Name: [[2-[(3,4-dimethoxyphenyl)thio]-5-nitro-phenyl]-hydroxy-methyl]phosphonic acid Formula: C15H16NO8PS MolecularWeight: 401.328201

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O)OC

InChI

InChI=1S/C15H16NO8PS/c1-23-12-5-4-10(8-13(12)24-2)26-14-6-3-9(16(18)19)7-11(14)15(17)25(20,21)22/h3-8,15,17H,1-2H3,(H2,20,21,22)