[3-(2-ethoxyphenoxy)-2-oxidanyl-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-ethoxyphenoxy)-2-oxidanyl-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-ethoxyphenoxy)-2-hydroxy-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl] ester IUPAC Name: [3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-ethoxyphenoxy)-2-hydroxy-3-phenyl-propyl] ester Formula: C24H26O6S MolecularWeight: 442.52464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC(C2=CC=CC=C2)C(COS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCOC1=CC=CC=C1OC(C2=CC=CC=C2)C(COS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C24H26O6S/c1-3-28-22-11-7-8-12-23(22)30-24(19-9-5-4-6-10-19)21(25)17-29-31(26,27)20-15-13-18(2)14-16-20/h4-16,21,24-25H,3,17H2,1-2H3