2-methyl-4-oxidanyl-4-oxidanylidene-3-[[(E)-3-oxidanylideneprop-1-enyl]amino]-1-(1,2,3-triazol-1-yl)butane-2-sulfinate

Systemtic Name: 2-methyl-4-oxidanyl-4-oxidanylidene-3-[[(E)-3-oxidanylideneprop-1-enyl]amino]-1-(1,2,3-triazol-1-yl)butane-2-sulfinate Openeye Name: 4-hydroxy-2-methyl-4-oxo-3-[[(E)-3-oxoprop-1-enyl]amino]-1-(triazol-1-yl)butane-2-sulfinate CAS Name: 4-hydroxy-2-methyl-4-oxo-3-[[(E)-3-oxoprop-1-enyl]amino]-1-(1-triazolyl)-2-butanesulfinate IUPAC Name: 4-hydroxy-2-methyl-4-oxo-3-[[(E)-3-oxoprop-1-enyl]amino]-1-(triazol-1-yl)butane-2-sulfinate Traditional Name: 4-hydroxy-4-keto-3-[[(E)-3-ketoprop-1-enyl]amino]-2-methyl-1-(triazol-1-yl)butane-2-sulfinate Formula: C10H13N4O5S- MolecularWeight: 301.29902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CN=N1)(C(C(=O)O)NC=CC=O)S(=O)[O-]

Isomeric SMILES

CC(CN1C=CN=N1)(C(C(=O)O)N/C=C/C=O)S(=O)[O-]

InChI

InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11H,7H2,1H3,(H,16,17)(H,18,19)/p-1/b3-2+