4-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Openeye Name: 4-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid CAS Name: 4-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Traditional Name: 4-(2,5,6-trimethyl-2H-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Formula: C14H21NO3S2 MolecularWeight: 315.45144

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=C(C(=C2)C)C)CCCCS(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(S1)C=C(C(=C2)C)C)CCCCS(=O)(=O)O

InChI

InChI=1S/C14H21NO3S2/c1-10-8-13-14(9-11(10)2)19-12(3)15(13)6-4-5-7-20(16,17)18/h8-9,12H,4-7H2,1-3H3,(H,16,17,18)