2-[(4-dimethylaminophenyl)diazenyl]-5-isothiocyanato-benzenesulfonic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-isothiocyanato-benzenesulfonic acid Openeye Name: 2-(4-dimethylaminophenyl)azo-5-isothiocyanato-benzenesulfonic acid CAS Name: 2-(4-dimethylaminophenyl)azo-5-isothiocyanatobenzenesulfonic acid IUPAC Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-isothiocyanatobenzenesulfonic acid Traditional Name: 2-(4-dimethylaminophenyl)azo-5-isothiocyanato-besylic acid Formula: C15H14N4O3S2 MolecularWeight: 362.42666

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O

InChI

InChI=1S/C15H14N4O3S2/c1-19(2)13-6-3-11(4-7-13)17-18-14-8-5-12(16-10-23)9-15(14)24(20,21)22/h3-9H,1-2H3,(H,20,21,22)