3-(4-isocyanato-3-methyl-phenyl)-2,4-dimethyl-benzenesulfinate

Systemtic Name: 3-(4-isocyanato-3-methyl-phenyl)-2,4-dimethyl-benzenesulfinate Openeye Name: 3-(4-isocyanato-3-methyl-phenyl)-2,4-dimethyl-benzenesulfinate CAS Name: 3-(4-isocyanato-3-methylphenyl)-2,4-dimethylbenzenesulfinate IUPAC Name: 3-(4-isocyanato-3-methylphenyl)-2,4-dimethylbenzenesulfinate Traditional Name: 3-(4-isocyanato-3-methyl-phenyl)-2,4-dimethyl-benzenesulfinate Formula: C16H14NO3S- MolecularWeight: 300.35226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-10-4-7-15(21(19)20)12(3)16(10)13-5-6-14(17-9-18)11(2)8-13/h4-8H,1-3H3,(H,19,20)/p-1