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

Systemtic Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-sulfo-ethanethioic S-acid Openeye Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-sulfo-ethanethioic S-acid CAS Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)-1-cyclohexa-1,5-dienyl]-2-sulfoethanethioic S-acid IUPAC Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-sulfoethanethioic S-acid Traditional Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-sulfo-thioacetic acid Formula: C11H13NO4S4 MolecularWeight: 351.48522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S4/c13-10(17)9(20(14,15)16)7-1-3-8(4-2-7)12-11-18-5-6-19-11/h1-3,9,11H,4-6H2,(H,13,17)(H,14,15,16)/b12-8-