sodium 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonate

Systemtic Name: sodium 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonate Openeye Name: sodium 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonate CAS Name: sodium 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: sodium 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: sodium 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonate Formula: C14H11N2NaO3S2 MolecularWeight: 342.36851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)[O-])SC(=N2)C3=CC=C(C=C3)N.[Na+]

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)[O-])SC(=N2)C3=CC=C(C=C3)N.[Na+]

InChI

InChI=1S/C14H12N2O3S2.Na/c1-8-6-11-13(12(7-8)21(17,18)19)20-14(16-11)9-2-4-10(15)5-3-9;/h2-7H,15H2,1H3,(H,17,18,19);/q;+1/p-1