2-isocyanoethyl 4-methylbenzenesulfonate

Systemtic Name: 2-isocyanoethyl 4-methylbenzenesulfonate Openeye Name: 2-isocyanoethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-isocyanoethyl ester IUPAC Name: 2-isocyanoethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-isocyanoethyl ester Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]#[C-]

InChI

InChI=1S/C10H11NO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-7-11-2/h3-6H,7-8H2,1H3