[1-(2-chloranyl-4-ethoxy-phenoxy)-2-oxidanyl-propyl] 3-methylbenzenesulfonate

Systemtic Name: [1-(2-chloranyl-4-ethoxy-phenoxy)-2-oxidanyl-propyl] 3-methylbenzenesulfonate Openeye Name: [1-(2-chloro-4-ethoxy-phenoxy)-2-hydroxy-propyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [1-(2-chloro-4-ethoxyphenoxy)-2-hydroxypropyl] ester IUPAC Name: [1-(2-chloro-4-ethoxyphenoxy)-2-hydroxypropyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [1-(2-chloro-4-ethoxy-phenoxy)-2-hydroxy-propyl] ester Formula: C18H21ClO6S MolecularWeight: 400.87374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OC(C(C)O)OS(=O)(=O)C2=CC=CC(=C2)C)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)OC(C(C)O)OS(=O)(=O)C2=CC=CC(=C2)C)Cl

InChI

InChI=1S/C18H21ClO6S/c1-4-23-14-8-9-17(16(19)11-14)24-18(13(3)20)25-26(21,22)15-7-5-6-12(2)10-15/h5-11,13,18,20H,4H2,1-3H3