4-chloranylbenzenesulfonate; 3-ethyl-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 4-chloranylbenzenesulfonate; 3-ethyl-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 4-chlorobenzenesulfonate; 3-ethyl-2-methyl-1,3-benzothiazol-3-ium CAS Name: 4-chlorobenzenesulfonate; 3-ethyl-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 4-chlorobenzenesulfonate; 3-ethyl-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 4-chlorobesylate; 3-ethyl-2-methyl-1,3-benzothiazol-3-ium Formula: C16H16ClNO3S2 MolecularWeight: 369.88614

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C10H12NS.C6H5ClO3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;7-5-1-3-6(4-2-5)11(8,9)10/h4-7H,3H2,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1