2-(5-chloranyl-1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(5-chloranyl-1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-chlorobenzofuran-3-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(5-chloro-3-benzofuranyl)ethyl ester IUPAC Name: 2-(5-chloro-1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-chlorobenzofuran-3-yl)ethyl ester Formula: C17H15ClO4S MolecularWeight: 350.8166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=COC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=COC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C17H15ClO4S/c1-12-2-5-15(6-3-12)23(19,20)22-9-8-13-11-21-17-7-4-14(18)10-16(13)17/h2-7,10-11H,8-9H2,1H3