3-isothiocyanato-2-(4-isothiocyanatophenyl)-4-methyl-benzenesulfinate

Systemtic Name: 3-isothiocyanato-2-(4-isothiocyanatophenyl)-4-methyl-benzenesulfinate Openeye Name: 3-isothiocyanato-2-(4-isothiocyanatophenyl)-4-methyl-benzenesulfinate CAS Name: 3-isothiocyanato-2-(4-isothiocyanatophenyl)-4-methylbenzenesulfinate IUPAC Name: 3-isothiocyanato-2-(4-isothiocyanatophenyl)-4-methylbenzenesulfinate Traditional Name: 3-isothiocyanato-2-(4-isothiocyanatophenyl)-4-methyl-benzenesulfinate Formula: C15H9N2O2S3- MolecularWeight: 345.43916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)[O-])C2=CC=C(C=C2)N=C=S)N=C=S

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)[O-])C2=CC=C(C=C2)N=C=S)N=C=S

InChI

InChI=1S/C15H10N2O2S3/c1-10-2-7-13(22(18)19)14(15(10)17-9-21)11-3-5-12(6-4-11)16-8-20/h2-7H,1H3,(H,18,19)/p-1