1-isocyanato-3-(2-methylpropylsulfonyl)benzene

Systemtic Name: 1-isocyanato-3-(2-methylpropylsulfonyl)benzene Openeye Name: 1-isobutylsulfonyl-3-isocyanato-benzene CAS Name: 1-isocyanato-3-(2-methylpropylsulfonyl)benzene IUPAC Name: 1-isocyanato-3-(2-methylpropylsulfonyl)benzene Traditional Name: 1-isobutylsulfonyl-3-isocyanato-benzene Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=CC=CC(=C1)N=C=O

Isomeric SMILES

CC(C)CS(=O)(=O)C1=CC=CC(=C1)N=C=O

InChI

InChI=1S/C11H13NO3S/c1-9(2)7-16(14,15)11-5-3-4-10(6-11)12-8-13/h3-6,9H,7H2,1-2H3