3-isocyanopropyl 4-methylbenzenesulfonate

Systemtic Name: 3-isocyanopropyl 4-methylbenzenesulfonate Openeye Name: 3-isocyanopropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-isocyanopropyl ester IUPAC Name: 3-isocyanopropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-isocyanopropyl ester Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3S/c1-10-4-6-11(7-5-10)16(13,14)15-9-3-8-12-2/h4-7H,3,8-9H2,1H3