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

Systemtic Name: 2-[4-[[2-(hydroxymethyloxy)phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[4-[2-(hydroxymethoxy)phenyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[4-[2-(hydroxymethoxy)phenyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[4-[[2-(hydroxymethoxy)phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 6-methyl-2-[4-(2-methyloloxyphenyl)azophenyl]-1,3-benzothiazole-7-sulfonic acid Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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=C4OCO)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4=CC=CC=C4OCO)S(=O)(=O)O

InChI

InChI=1S/C21H17N3O5S2/c1-13-6-11-17-19(20(13)31(26,27)28)30-21(22-17)14-7-9-15(10-8-14)23-24-16-4-2-3-5-18(16)29-12-25/h2-11,25H,12H2,1H3,(H,26,27,28)