2-(4-bromophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(4-bromophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-bromophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-bromophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(4-bromophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-bromophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C14H10BrNO3S2 MolecularWeight: 384.2681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)Br)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)Br)S(=O)(=O)O

InChI

InChI=1S/C14H10BrNO3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,1H3,(H,17,18,19)