2-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)-5-(sulfinatoamino)-1,3-benzodioxole

Systemtic Name: 2-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)-5-(sulfinatoamino)-1,3-benzodioxole Openeye Name: 2-(1-carboxypropyl)-2-methyl-5-(sulfinatoamino)-1,3-benzodioxole CAS Name: 2-(1-hydroxy-1-oxobutan-2-yl)-2-methyl-5-(sulfinatoamino)-1,3-benzodioxole IUPAC Name: 2-(1-hydroxy-1-oxobutan-2-yl)-2-methyl-5-(sulfinatoamino)-1,3-benzodioxole Traditional Name: 2-(1-carboxypropyl)-2-methyl-5-(sulfinatoamino)-1,3-benzodioxole Formula: C12H14NO6S- MolecularWeight: 300.30766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C1(OC2=C(O1)C=C(C=C2)NS(=O)[O-])C

Isomeric SMILES

CCC(C(=O)O)C1(OC2=C(O1)C=C(C=C2)NS(=O)[O-])C

InChI

InChI=1S/C12H15NO6S/c1-3-8(11(14)15)12(2)18-9-5-4-7(13-20(16)17)6-10(9)19-12/h4-6,8,13H,3H2,1-2H3,(H,14,15)(H,16,17)/p-1