2-isocyanato-5-methyl-benzenesulfonyl chloride

Systemtic Name: 2-isocyanato-5-methyl-benzenesulfonyl chloride Openeye Name: 2-isocyanato-5-methyl-benzenesulfonyl chloride CAS Name: 2-isocyanato-5-methylbenzenesulfonyl chloride IUPAC Name: 2-isocyanato-5-methylbenzenesulfonyl chloride Traditional Name: 2-isocyanato-5-methyl-benzenesulfonyl chloride Formula: C8H6ClNO3S MolecularWeight: 231.65614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=C=O)S(=O)(=O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N=C=O)S(=O)(=O)Cl

InChI

InChI=1S/C8H6ClNO3S/c1-6-2-3-7(10-5-11)8(4-6)14(9,12)13/h2-4H,1H3