4-(2-methyl-6-nitro-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2-methyl-6-nitro-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Openeye Name: 4-(2-methyl-6-nitro-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid CAS Name: 4-(2-methyl-6-nitro-2H-1,3-benzothiazol-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(2-methyl-6-nitro-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Traditional Name: 4-(2-methyl-6-nitro-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCCCS(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCCCS(=O)(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-9-13(6-2-3-7-21(17,18)19)11-5-4-10(14(15)16)8-12(11)20-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18,19)