potassium 2-[ethyl-[3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethanesulfonate

Systemtic Name: potassium 2-[ethyl-[3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethanesulfonate Openeye Name: potassium 2-[N-ethyl-3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonate CAS Name: potassium 2-[N-ethyl-3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonate IUPAC Name: potassium 2-[N-ethyl-3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanesulfonate Traditional Name: potassium 2-[N-ethyl-3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonate Formula: C19H21KN4O3S2 MolecularWeight: 456.62334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)C)C.[K+]

Isomeric SMILES

CCN(CCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)C)C.[K+]

InChI

InChI=1S/C19H22N4O3S2.K/c1-4-23(9-10-28(24,25)26)15-6-8-16(14(3)12-15)21-22-19-20-17-7-5-13(2)11-18(17)27-19;/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25,26);/q;+1/p-1