[2-oxidanyl-3-[4-(2-propoxyethoxy)phenoxy]propyl] 3-methylbenzenesulfonate

Systemtic Name: [2-oxidanyl-3-[4-(2-propoxyethoxy)phenoxy]propyl] 3-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-[4-(2-propoxyethoxy)phenoxy]propyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [2-hydroxy-3-[4-(2-propoxyethoxy)phenoxy]propyl] ester IUPAC Name: [2-hydroxy-3-[4-(2-propoxyethoxy)phenoxy]propyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [2-hydroxy-3-[4-(2-propoxyethoxy)phenoxy]propyl] ester Formula: C21H28O7S MolecularWeight: 424.50782

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC1=CC=C(C=C1)OCC(COS(=O)(=O)C2=CC=CC(=C2)C)O

Isomeric SMILES

CCCOCCOC1=CC=C(C=C1)OCC(COS(=O)(=O)C2=CC=CC(=C2)C)O

InChI

InChI=1S/C21H28O7S/c1-3-11-25-12-13-26-19-7-9-20(10-8-19)27-15-18(22)16-28-29(23,24)21-6-4-5-17(2)14-21/h4-10,14,18,22H,3,11-13,15-16H2,1-2H3