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

Systemtic Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-chloranyl-phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2-chloro-phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2-chlorophenoxy]ethyl ester IUPAC Name: 2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2-chlorophenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(2-butylbenzofuran-3-carbonyl)-2-chloro-phenoxy]ethyl ester Formula: C28H27ClO6S MolecularWeight: 527.02838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)OCCOS(=O)(=O)C4=CC=C(C=C4)C)Cl

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)OCCOS(=O)(=O)C4=CC=C(C=C4)C)Cl

InChI

InChI=1S/C28H27ClO6S/c1-3-4-8-26-27(22-7-5-6-9-24(22)35-26)28(30)20-12-15-25(23(29)18-20)33-16-17-34-36(31,32)21-13-10-19(2)11-14-21/h5-7,9-15,18H,3-4,8,16-17H2,1-2H3