2-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-5-(1,3-thiazol-2-yldiazenyl)benzene-1,4-disulfonic acid

Systemtic Name: 2-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-5-(1,3-thiazol-2-yldiazenyl)benzene-1,4-disulfonic acid Openeye Name: 2-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-5-thiazol-2-ylazo-benzene-1,4-disulfonic acid CAS Name: 2-(2,5-dimethyl-1-cyclohexa-1,5-dienyl)-5-(2-thiazolylazo)benzene-1,4-disulfonic acid IUPAC Name: 2-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-5-(1,3-thiazol-2-yldiazenyl)benzene-1,4-disulfonic acid Traditional Name: 2-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-5-thiazol-2-ylazo-benzene-1,4-disulfonic acid Formula: C17H17N3O6S3 MolecularWeight: 455.52838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(CC1)C)C2=CC(=C(C=C2S(=O)(=O)O)N=NC3=NC=CS3)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(CC1)C)C2=CC(=C(C=C2S(=O)(=O)O)N=NC3=NC=CS3)S(=O)(=O)O

InChI

InChI=1S/C17H17N3O6S3/c1-10-3-4-11(2)12(7-10)13-8-16(29(24,25)26)14(9-15(13)28(21,22)23)19-20-17-18-5-6-27-17/h5-9H,3-4H2,1-2H3,(H,21,22,23)(H,24,25,26)