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

Systemtic Name: [1-[3,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl] 3-methylbenzenesulfonate Openeye Name: [1-(3,4-dichlorophenoxy)-2-hydroxy-propyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [1-(3,4-dichlorophenoxy)-2-hydroxypropyl] ester IUPAC Name: [1-(3,4-dichlorophenoxy)-2-hydroxypropyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [1-(3,4-dichlorophenoxy)-2-hydroxy-propyl] ester Formula: C16H16Cl2O5S MolecularWeight: 391.26624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC(C(C)O)OC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC(C(C)O)OC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H16Cl2O5S/c1-10-4-3-5-13(8-10)24(20,21)23-16(11(2)19)22-12-6-7-14(17)15(18)9-12/h3-9,11,16,19H,1-2H3