[(E)-4-methyl-1-(3-nitrophenyl)-3-oxidanylidene-4-phenylsulfanyl-pent-1-en-2-yl]phosphonic acid

Systemtic Name: [(E)-4-methyl-1-(3-nitrophenyl)-3-oxidanylidene-4-phenylsulfanyl-pent-1-en-2-yl]phosphonic acid Openeye Name: [(1E)-3-methyl-1-[(3-nitrophenyl)methylene]-2-oxo-3-phenylsulfanyl-butyl]phosphonic acid CAS Name: [(E)-4-methyl-1-(3-nitrophenyl)-3-oxo-4-(phenylthio)pent-1-en-2-yl]phosphonic acid IUPAC Name: [(E)-4-methyl-1-(3-nitrophenyl)-3-oxo-4-phenylsulfanylpent-1-en-2-yl]phosphonic acid Traditional Name: [(E)-1-[2-methyl-2-(phenylthio)propanoyl]-2-(3-nitrophenyl)vinyl]phosphonic acid Formula: C18H18NO6PS MolecularWeight: 407.377381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])P(=O)(O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/P(=O)(O)O)SC2=CC=CC=C2

InChI

InChI=1S/C18H18NO6PS/c1-18(2,27-15-9-4-3-5-10-15)17(20)16(26(23,24)25)12-13-7-6-8-14(11-13)19(21)22/h3-12H,1-2H3,(H2,23,24,25)/b16-12+