2-isocyanato-1-methyl-4-methylsulfonyl-benzene

Systemtic Name: 2-isocyanato-1-methyl-4-methylsulfonyl-benzene Openeye Name: 2-isocyanato-1-methyl-4-methylsulfonyl-benzene CAS Name: 2-isocyanato-1-methyl-4-methylsulfonylbenzene IUPAC Name: 2-isocyanato-1-methyl-4-methylsulfonylbenzene Traditional Name: 2-isocyanato-4-mesyl-1-methyl-benzene Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO3S/c1-7-3-4-8(14(2,12)13)5-9(7)10-6-11/h3-5H,1-2H3