[3-methyl-5-(3-oxidanylpropoxy)phenyl] 5-chloranyl-2-methoxy-benzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] 5-chloranyl-2-methoxy-benzenesulfonate Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] 5-chloro-2-methoxy-benzenesulfonate CAS Name: 5-chloro-2-methoxybenzenesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] 5-chloro-2-methoxybenzenesulfonate Traditional Name: 5-chloro-2-methoxy-benzenesulfonic acid [3-(3-hydroxypropoxy)-5-methyl-phenyl] ester Formula: C17H19ClO6S MolecularWeight: 386.84716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClO6S/c1-12-8-14(23-7-3-6-19)11-15(9-12)24-25(20,21)17-10-13(18)4-5-16(17)22-2/h4-5,8-11,19H,3,6-7H2,1-2H3