(2E)-4-methyl-2-[[4-oxidanyl-2,6-bis(sulfinatoamino)phenyl]methylidene]-3-oxidanylidene-thiomorpholine

Systemtic Name: (2E)-4-methyl-2-[[4-oxidanyl-2,6-bis(sulfinatoamino)phenyl]methylidene]-3-oxidanylidene-thiomorpholine Openeye Name: (2E)-2-[[4-hydroxy-2,6-bis(sulfinatoamino)phenyl]methylene]-4-methyl-3-oxo-thiomorpholine CAS Name: (2E)-2-[[4-hydroxy-2,6-bis(sulfinatoamino)phenyl]methylidene]-4-methyl-3-oxothiomorpholine IUPAC Name: (2E)-2-[[4-hydroxy-2,6-bis(sulfinatoamino)phenyl]methylidene]-4-methyl-3-oxothiomorpholine Traditional Name: (2E)-2-[4-hydroxy-2,6-bis(sulfinatoamino)benzylidene]-3-keto-4-methyl-thiomorpholine Formula: C12H13N3O6S3-2 MolecularWeight: 391.44312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCSC(=CC2=C(C=C(C=C2NS(=O)[O-])O)NS(=O)[O-])C1=O

Isomeric SMILES

CN1CCS/C(=C/C2=C(C=C(C=C2NS(=O)[O-])O)NS(=O)[O-])/C1=O

InChI

InChI=1S/C12H15N3O6S3/c1-15-2-3-22-11(12(15)17)6-8-9(13-23(18)19)4-7(16)5-10(8)14-24(20)21/h4-6,13-14,16H,2-3H2,1H3,(H,18,19)(H,20,21)/p-2/b11-6+