sodium 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate

Systemtic Name: sodium 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate Openeye Name: sodium 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate CAS Name: sodium 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: sodium 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: sodium 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C14H11N2NaO3S2 MolecularWeight: 342.36851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H12N2O3S2.Na/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,15H2,1H3,(H,17,18,19);/q;+1/p-1