2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]propanedioic acid

Systemtic Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]propanedioic acid Openeye Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]propanedioic acid CAS Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)-1-cyclohexa-1,5-dienyl]propanedioic acid IUPAC Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]propanedioic acid Traditional Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]malonic acid Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)N=C2CC=C(C=C2)C(C(=O)O)C(=O)O

Isomeric SMILES

C1CSC(S1)/N=C/2\CC=C(C=C2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO4S2/c14-10(15)9(11(16)17)7-1-3-8(4-2-7)13-12-18-5-6-19-12/h1-3,9,12H,4-6H2,(H,14,15)(H,16,17)/b13-8-