2-[4-[[2-(hydroxymethyl)phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-[4-[[2-(hydroxymethyl)phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[4-[2-(hydroxymethyl)phenyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[4-[2-(hydroxymethyl)phenyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[4-[[2-(hydroxymethyl)phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 6-methyl-2-[4-(2-methylolphenyl)azophenyl]-1,3-benzothiazole-7-sulfonic acid Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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=NC4=CC=CC=C4CO)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4=CC=CC=C4CO)S(=O)(=O)O

InChI

InChI=1S/C21H17N3O4S2/c1-13-6-11-18-19(20(13)30(26,27)28)29-21(22-18)14-7-9-16(10-8-14)23-24-17-5-3-2-4-15(17)12-25/h2-11,25H,12H2,1H3,(H,26,27,28)