2-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]-5-isothiocyanato-benzenesulfonic acid

Systemtic Name: 2-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]-5-isothiocyanato-benzenesulfonic acid Openeye Name: 2-[[4-(dimethylamino)-1-naphthyl]azo]-5-isothiocyanato-benzenesulfonic acid CAS Name: 2-[[4-(dimethylamino)-1-naphthalenyl]azo]-5-isothiocyanatobenzenesulfonic acid IUPAC Name: 2-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]-5-isothiocyanatobenzenesulfonic acid Traditional Name: 2-[[4-(dimethylamino)-1-naphthyl]azo]-5-isothiocyanato-besylic acid Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3)N=C=S)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3)N=C=S)S(=O)(=O)O

InChI

InChI=1S/C19H16N4O3S2/c1-23(2)18-10-9-16(14-5-3-4-6-15(14)18)21-22-17-8-7-13(20-12-27)11-19(17)28(24,25)26/h3-11H,1-2H3,(H,24,25,26)