2-(2-hydroxyethylamino)ethanol; 2-[4-[[1-(hydroxymethyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-[[1-(hydroxymethyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-[[1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-[[1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-[[1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-[(5-keto-3-methyl-1-methylol-2-pyrazolin-4-yl)azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C23H28N6O7S2 MolecularWeight: 564.63442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)CO)C)S(=O)(=O)O.C(CO)NCCO

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)CO)C)S(=O)(=O)O.C(CO)NCCO

InChI

InChI=1S/C19H17N5O5S2.C4H11NO2/c1-10-3-8-14-16(17(10)31(27,28)29)30-18(20-14)12-4-6-13(7-5-12)21-22-15-11(2)23-24(9-25)19(15)26;6-3-1-5-2-4-7/h3-8,15,25H,9H2,1-2H3,(H,27,28,29);5-7H,1-4H2