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

Systemtic Name: potassium 2-[ethyl-[4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethanesulfonate Openeye Name: potassium 2-[N-ethyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonate CAS Name: potassium 2-[N-ethyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonate IUPAC Name: potassium 2-[N-ethyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanesulfonate Traditional Name: potassium 2-[N-ethyl-4-[(6-methyl-1,3-benzothiazol-2-yl)azo]anilino]ethanesulfonate Formula: C18H19KN4O3S2 MolecularWeight: 442.59676

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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.[K+]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S2.K/c1-3-22(10-11-27(23,24)25)15-7-5-14(6-8-15)20-21-18-19-16-9-4-13(2)12-17(16)26-18;/h4-9,12H,3,10-11H2,1-2H3,(H,23,24,25);/q;+1/p-1