[4-(2-ethanoylhydrazinyl)-2-isocyano-5-methyl-phenyl] 2-methoxyethanesulfinate

Systemtic Name: [4-(2-ethanoylhydrazinyl)-2-isocyano-5-methyl-phenyl] 2-methoxyethanesulfinate Openeye Name: [4-(2-acetylhydrazino)-2-isocyano-5-methyl-phenyl] 2-methoxyethanesulfinate CAS Name: 2-methoxyethanesulfinic acid [4-(acetylhydrazo)-2-isocyano-5-methylphenyl] ester IUPAC Name: [4-(2-acetylhydrazinyl)-2-isocyano-5-methylphenyl] 2-methoxyethanesulfinate Traditional Name: 2-methoxyethanesulfinic acid [4-(N'-acetylhydrazino)-2-isocyano-5-methyl-phenyl] ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NNC(=O)C)[N+]#[C-])OS(=O)CCOC

Isomeric SMILES

CC1=CC(=C(C=C1NNC(=O)C)[N+]#[C-])OS(=O)CCOC

InChI

InChI=1S/C13H17N3O4S/c1-9-7-13(20-21(18)6-5-19-4)12(14-3)8-11(9)16-15-10(2)17/h7-8,16H,5-6H2,1-2,4H3,(H,15,17)