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

Systemtic Name: 4-(2-methylidene-1,3-benzothiazol-3-yl)butane-2-sulfonic acid Openeye Name: 4-(2-methylene-1,3-benzothiazol-3-yl)butane-2-sulfonic acid CAS Name: 4-(2-methylene-1,3-benzothiazol-3-yl)-2-butanesulfonic acid IUPAC Name: 4-(2-methylidene-1,3-benzothiazol-3-yl)butane-2-sulfonic acid Traditional Name: 4-(2-methylene-1,3-benzothiazol-3-yl)butane-2-sulfonic acid Formula: C12H15NO3S2 MolecularWeight: 285.3824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=C)SC2=CC=CC=C21)S(=O)(=O)O

Isomeric SMILES

CC(CCN1C(=C)SC2=CC=CC=C21)S(=O)(=O)O

InChI

InChI=1S/C12H15NO3S2/c1-9(18(14,15)16)7-8-13-10(2)17-12-6-4-3-5-11(12)13/h3-6,9H,2,7-8H2,1H3,(H,14,15,16)