[(2-ethoxy-3,4,6-trimethyl-5-nitro-phenyl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [(2-ethoxy-3,4,6-trimethyl-5-nitro-phenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [(2-ethoxy-3,4,6-trimethyl-5-nitro-phenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[(2-ethoxy-3,4,6-trimethyl-5-nitrophenyl)thio]-phosphonomethyl]phosphonic acid IUPAC Name: [(2-ethoxy-3,4,6-trimethyl-5-nitrophenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[(2-ethoxy-3,4,6-trimethyl-5-nitro-phenyl)thio]-phosphono-methyl]phosphonic acid Formula: C12H19NO9P2S MolecularWeight: 415.293082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1C)C)[N+](=O)[O-])C)SC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCOC1=C(C(=C(C(=C1C)C)[N+](=O)[O-])C)SC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H19NO9P2S/c1-5-22-10-7(3)6(2)9(13(14)15)8(4)11(10)25-12(23(16,17)18)24(19,20)21/h12H,5H2,1-4H3,(H2,16,17,18)(H2,19,20,21)