[(5-nitro-2-oxidanyl-phenyl)sulfanyl-(trimethoxy-$l^{5}-phosphanylidene)methyl]phosphonic acid

Systemtic Name: [(5-nitro-2-oxidanyl-phenyl)sulfanyl-(trimethoxy-$l^{5}-phosphanylidene)methyl]phosphonic acid Openeye Name: [(2-hydroxy-5-nitro-phenyl)sulfanyl-(trimethoxy-$l^{5}-phosphanylidene)methyl]phosphonic acid CAS Name: [[(2-hydroxy-5-nitrophenyl)thio]-trimethoxyphosphoranylidenemethyl]phosphonic acid IUPAC Name: [(2-hydroxy-5-nitrophenyl)sulfanyl-(trimethoxy-$l^{5}-phosphanylidene)methyl]phosphonic acid Traditional Name: [[(2-hydroxy-5-nitro-phenyl)thio]-trimethoxyphosphoranylidene-methyl]phosphonic acid Formula: C10H15NO9P2S MolecularWeight: 387.239922

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Descriptors Computed from Structure

Canonical SMILES:

COP(=C(P(=O)(O)O)SC1=C(C=CC(=C1)[N+](=O)[O-])O)(OC)OC

Isomeric SMILES

COP(=C(P(=O)(O)O)SC1=C(C=CC(=C1)[N+](=O)[O-])O)(OC)OC

InChI

InChI=1S/C10H15NO9P2S/c1-18-22(19-2,20-3)10(21(15,16)17)23-9-6-7(11(13)14)4-5-8(9)12/h4-6,12H,1-3H3,(H2,15,16,17)