1,3-benzothiazole-2-sulfonic acid; chloranylmethane

Systemtic Name: 1,3-benzothiazole-2-sulfonic acid; chloranylmethane Openeye Name: 1,3-benzothiazole-2-sulfonic acid; chloromethane CAS Name: 1,3-benzothiazole-2-sulfonic acid; chloromethane IUPAC Name: 1,3-benzothiazole-2-sulfonic acid; chloromethane Traditional Name: 1,3-benzothiazole-2-sulfonic acid; chloromethane Formula: C8H8ClNO3S2 MolecularWeight: 265.73702

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Descriptors Computed from Structure

Canonical SMILES:

CCl.C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O

Isomeric SMILES

CCl.C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O

InChI

InChI=1S/C7H5NO3S2.CH3Cl/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7;1-2/h1-4H,(H,9,10,11);1H3