[1-(2-chloranyl-6-methyl-phenoxy)-2-oxidanyl-propyl] benzenesulfonate

Systemtic Name: [1-(2-chloranyl-6-methyl-phenoxy)-2-oxidanyl-propyl] benzenesulfonate Openeye Name: [1-(2-chloro-6-methyl-phenoxy)-2-hydroxy-propyl] benzenesulfonate CAS Name: benzenesulfonic acid [1-(2-chloro-6-methylphenoxy)-2-hydroxypropyl] ester IUPAC Name: [1-(2-chloro-6-methylphenoxy)-2-hydroxypropyl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-(2-chloro-6-methyl-phenoxy)-2-hydroxy-propyl] ester Formula: C16H17ClO5S MolecularWeight: 356.82118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)OC(C(C)O)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)OC(C(C)O)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17ClO5S/c1-11-7-6-10-14(17)15(11)21-16(12(2)18)22-23(19,20)13-8-4-3-5-9-13/h3-10,12,16,18H,1-2H3