3-(7-ethoxy-4-oxidanyl-2,3-dihydro-1-benzofuran-5-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(7-ethoxy-4-oxidanyl-2,3-dihydro-1-benzofuran-5-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(7-ethoxy-4-hydroxy-2,3-dihydrobenzofuran-5-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(7-ethoxy-4-hydroxy-2,3-dihydrobenzofuran-5-yl)propyl ester IUPAC Name: 3-(7-ethoxy-4-hydroxy-2,3-dihydro-1-benzofuran-5-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(7-ethoxy-4-hydroxy-coumaran-5-yl)propyl ester Formula: C20H24O6S MolecularWeight: 392.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C(=C1)CCCOS(=O)(=O)C3=CC=C(C=C3)C)O)CCO2

Isomeric SMILES

CCOC1=C2C(=C(C(=C1)CCCOS(=O)(=O)C3=CC=C(C=C3)C)O)CCO2

InChI

InChI=1S/C20H24O6S/c1-3-24-18-13-15(19(21)17-10-12-25-20(17)18)5-4-11-26-27(22,23)16-8-6-14(2)7-9-16/h6-9,13,21H,3-5,10-12H2,1-2H3