4-(1,3-benzothiazol-2-yl)-4-sulfanylidene-butane-1-sulfonic acid

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-4-sulfanylidene-butane-1-sulfonic acid Openeye Name: 4-(1,3-benzothiazol-2-yl)-4-thioxo-butane-1-sulfonic acid CAS Name: 4-(1,3-benzothiazol-2-yl)-4-sulfanylidene-1-butanesulfonic acid IUPAC Name: 4-(1,3-benzothiazol-2-yl)-4-sulfanylidenebutane-1-sulfonic acid Traditional Name: 4-(1,3-benzothiazol-2-yl)-4-thioxo-butane-1-sulfonic acid Formula: C11H11NO3S3 MolecularWeight: 301.40494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=S)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=S)CCCS(=O)(=O)O

InChI

InChI=1S/C11H11NO3S3/c13-18(14,15)7-3-5-9(16)11-12-8-4-1-2-6-10(8)17-11/h1-2,4,6H,3,5,7H2,(H,13,14,15)