4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Openeye Name: 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid CAS Name: 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Traditional Name: 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Formula: C14H20NO4S2+ MolecularWeight: 330.4429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)SC(=[N+]2CCCCS(=O)(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1OC)SC(=[N+]2CCCCS(=O)(=O)O)C

InChI

InChI=1S/C14H19NO4S2/c1-10-8-12-14(9-13(10)19-3)20-11(2)15(12)6-4-5-7-21(16,17)18/h8-9H,4-7H2,1-3H3/p+1