[[5-nitro-2-(3-phenylpropylsulfanyl)phenyl]-oxidanyl-methyl]phosphonic acid

Systemtic Name: [[5-nitro-2-(3-phenylpropylsulfanyl)phenyl]-oxidanyl-methyl]phosphonic acid Openeye Name: [hydroxy-[5-nitro-2-(3-phenylpropylsulfanyl)phenyl]methyl]phosphonic acid CAS Name: [hydroxy-[5-nitro-2-(3-phenylpropylthio)phenyl]methyl]phosphonic acid IUPAC Name: [hydroxy-[5-nitro-2-(3-phenylpropylsulfanyl)phenyl]methyl]phosphonic acid Traditional Name: [hydroxy-[5-nitro-2-(3-phenylpropylthio)phenyl]methyl]phosphonic acid Formula: C16H18NO6PS MolecularWeight: 383.355981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

InChI

InChI=1S/C16H18NO6PS/c18-16(24(21,22)23)14-11-13(17(19)20)8-9-15(14)25-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16,18H,4,7,10H2,(H2,21,22,23)