5-isocyanatopentyl 4-methylbenzenesulfonate

Systemtic Name: 5-isocyanatopentyl 4-methylbenzenesulfonate Openeye Name: 5-isocyanatopentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-isocyanatopentyl ester IUPAC Name: 5-isocyanatopentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-isocyanatopentyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-12-5-7-13(8-6-12)19(16,17)18-10-4-2-3-9-14-11-15/h5-8H,2-4,9-10H2,1H3