2-[4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-(2-ethylbenzofuran-3-carbonyl)phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[(2-ethyl-3-benzofuranyl)-oxomethyl]phenoxy]ethyl ester IUPAC Name: 2-[4-(2-ethyl-1-benzofuran-3-carbonyl)phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(2-ethylbenzofuran-3-carbonyl)phenoxy]ethyl ester Formula: C26H24O6S MolecularWeight: 464.53016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCOS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCOS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H24O6S/c1-3-23-25(22-6-4-5-7-24(22)32-23)26(27)19-10-12-20(13-11-19)30-16-17-31-33(28,29)21-14-8-18(2)9-15-21/h4-15H,3,16-17H2,1-2H3