3-isocyanatopropyl 4-methylbenzenesulfonate

Systemtic Name: 3-isocyanatopropyl 4-methylbenzenesulfonate Openeye Name: 3-isocyanatopropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-isocyanatopropyl ester IUPAC Name: 3-isocyanatopropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-isocyanatopropyl ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN=C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN=C=O

InChI

InChI=1S/C11H13NO4S/c1-10-3-5-11(6-4-10)17(14,15)16-8-2-7-12-9-13/h3-6H,2,7-8H2,1H3