1-(1-isocyanopentylsulfonyl)-4-methyl-benzene

Systemtic Name: 1-(1-isocyanopentylsulfonyl)-4-methyl-benzene Openeye Name: 1-(1-isocyanopentylsulfonyl)-4-methyl-benzene CAS Name: 1-(1-isocyanopentylsulfonyl)-4-methylbenzene IUPAC Name: 1-(1-isocyanopentylsulfonyl)-4-methylbenzene Traditional Name: 1-(1-isocyanopentylsulfonyl)-4-methyl-benzene Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H17NO2S/c1-4-5-6-13(14-3)17(15,16)12-9-7-11(2)8-10-12/h7-10,13H,4-6H2,1-2H3