[2-isocyano-5-methyl-4-[2-(2-methylbutanoyl)hydrazinyl]phenyl] methanesulfinate

Systemtic Name: [2-isocyano-5-methyl-4-[2-(2-methylbutanoyl)hydrazinyl]phenyl] methanesulfinate Openeye Name: [2-isocyano-5-methyl-4-[2-(2-methylbutanoyl)hydrazino]phenyl] methanesulfinate CAS Name: methanesulfinic acid [2-isocyano-5-methyl-4-[(2-methyl-1-oxobutyl)hydrazo]phenyl] ester IUPAC Name: [2-isocyano-5-methyl-4-[2-(2-methylbutanoyl)hydrazinyl]phenyl] methanesulfinate Traditional Name: methanesulfinic acid [2-isocyano-5-methyl-4-[N'-(2-methylbutanoyl)hydrazino]phenyl] ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NNC1=CC(=C(C=C1C)OS(=O)C)[N+]#[C-]

Isomeric SMILES

CCC(C)C(=O)NNC1=CC(=C(C=C1C)OS(=O)C)[N+]#[C-]

InChI

InChI=1S/C14H19N3O3S/c1-6-9(2)14(18)17-16-11-8-12(15-4)13(7-10(11)3)20-21(5)19/h7-9,16H,6H2,1-3,5H3,(H,17,18)