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

Systemtic Name: sodium (4-aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate Openeye Name: sodium (4-aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate CAS Name: sodium 6-methyl-1,3-benzothiazole-2-sulfonic acid (4-aminophenyl) ester IUPAC Name: sodium (4-aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate Traditional Name: sodium 6-methyl-1,3-benzothiazole-2-sulfonic acid (4-aminophenyl) ester Formula: C14H12N2NaO3S2+ MolecularWeight: 343.37645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)OC3=CC=C(C=C3)N.[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)OC3=CC=C(C=C3)N.[Na+]

InChI

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