2-(4-isothiocyanatophenoxy)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(4-isothiocyanatophenoxy)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(4-isothiocyanatophenoxy)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(4-isothiocyanatophenoxy)ethyl ester IUPAC Name: 2-(4-isothiocyanatophenoxy)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-isothiocyanatophenoxy)ethyl ester Formula: C16H15NO4S2 MolecularWeight: 349.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H15NO4S2/c1-13-2-8-16(9-3-13)23(18,19)21-11-10-20-15-6-4-14(5-7-15)17-12-22/h2-9H,10-11H2,1H3