2-chloranyl-5-[(2,5-dimethylcyclohexa-1,5-dien-1-yl)diazenyl]benzene-1,4-disulfonic acid

Systemtic Name: 2-chloranyl-5-[(2,5-dimethylcyclohexa-1,5-dien-1-yl)diazenyl]benzene-1,4-disulfonic acid Openeye Name: 2-chloro-5-(2,5-dimethylcyclohexa-1,5-dien-1-yl)azo-benzene-1,4-disulfonic acid CAS Name: 2-chloro-5-[(2,5-dimethyl-1-cyclohexa-1,5-dienyl)azo]benzene-1,4-disulfonic acid IUPAC Name: 2-chloro-5-[(2,5-dimethylcyclohexa-1,5-dien-1-yl)diazenyl]benzene-1,4-disulfonic acid Traditional Name: 2-chloro-5-(2,5-dimethylcyclohexa-1,5-dien-1-yl)azo-benzene-1,4-disulfonic acid Formula: C14H15ClN2O6S2 MolecularWeight: 406.8617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(CC1)C)N=NC2=CC(=C(C=C2S(=O)(=O)O)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(CC1)C)N=NC2=CC(=C(C=C2S(=O)(=O)O)Cl)S(=O)(=O)O

InChI

InChI=1S/C14H15ClN2O6S2/c1-8-3-4-9(2)11(5-8)16-17-12-7-13(24(18,19)20)10(15)6-14(12)25(21,22)23/h5-7H,3-4H2,1-2H3,(H,18,19,20)(H,21,22,23)