2-[2-(chloromethyl)-1-benzofuran-3-yl]pent-4-enyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(chloromethyl)-1-benzofuran-3-yl]pent-4-enyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(chloromethyl)benzofuran-3-yl]pent-4-enyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(chloromethyl)-3-benzofuranyl]pent-4-enyl ester IUPAC Name: 2-[2-(chloromethyl)-1-benzofuran-3-yl]pent-4-enyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(chloromethyl)benzofuran-3-yl]pent-4-enyl ester Formula: C21H21ClO4S MolecularWeight: 404.90704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC=C)C2=C(OC3=CC=CC=C32)CCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC=C)C2=C(OC3=CC=CC=C32)CCl

InChI

InChI=1S/C21H21ClO4S/c1-3-6-16(14-25-27(23,24)17-11-9-15(2)10-12-17)21-18-7-4-5-8-19(18)26-20(21)13-22/h3-5,7-12,16H,1,6,13-14H2,2H3