2-(4-diazocyclohexa-2,5-dien-1-yl)-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(4-diazocyclohexa-2,5-dien-1-yl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-diazocyclohexa-2,5-dien-1-yl)-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-diazo-1-cyclohexa-2,5-dienyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(4-diazocyclohexa-2,5-dien-1-yl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-diazocyclohexa-2,5-dien-1-yl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C14H11N3O3S2 MolecularWeight: 333.38544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3C=CC(=[N+]=[N-])C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3C=CC(=[N+]=[N-])C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H11N3O3S2/c1-8-2-7-11-12(13(8)22(18,19)20)21-14(16-11)9-3-5-10(17-15)6-4-9/h2-7,9H,1H3,(H,18,19,20)