2-(5-methyl-1-benzofuran-2-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(5-methyl-1-benzofuran-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-methylbenzofuran-2-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(5-methyl-2-benzofuranyl)ethyl ester IUPAC Name: 2-(5-methyl-1-benzofuran-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-methylbenzofuran-2-yl)ethyl ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(O2)C=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C18H18O4S/c1-13-3-6-17(7-4-13)23(19,20)21-10-9-16-12-15-11-14(2)5-8-18(15)22-16/h3-8,11-12H,9-10H2,1-2H3