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

Systemtic Name: [[2-[(4-methylphenyl)methylsulfanyl]-5-nitro-phenyl]-oxidanyl-methyl]phosphonic acid Openeye Name: [hydroxy-[5-nitro-2-(p-tolylmethylsulfanyl)phenyl]methyl]phosphonic acid CAS Name: [hydroxy-[2-[(4-methylphenyl)methylthio]-5-nitrophenyl]methyl]phosphonic acid IUPAC Name: [hydroxy-[2-[(4-methylphenyl)methylsulfanyl]-5-nitrophenyl]methyl]phosphonic acid Traditional Name: [hydroxy-[2-[(4-methylbenzyl)thio]-5-nitro-phenyl]methyl]phosphonic acid Formula: C15H16NO6PS MolecularWeight: 369.329401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

InChI

InChI=1S/C15H16NO6PS/c1-10-2-4-11(5-3-10)9-24-14-7-6-12(16(18)19)8-13(14)15(17)23(20,21)22/h2-8,15,17H,9H2,1H3,(H2,20,21,22)