4-isocyanatobutyl 4-methylbenzenesulfonate

Systemtic Name: 4-isocyanatobutyl 4-methylbenzenesulfonate Openeye Name: 4-isocyanatobutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-isocyanatobutyl ester IUPAC Name: 4-isocyanatobutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-isocyanatobutyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c1-11-4-6-12(7-5-11)18(15,16)17-9-3-2-8-13-10-14/h4-7H,2-3,8-9H2,1H3