[3-ethyl-5-(3-oxidanylpropoxy)phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-ethyl-5-(3-oxidanylpropoxy)phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-ethyl-5-(3-hydroxypropoxy)phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-ethyl-5-(3-hydroxypropoxy)phenyl] ester IUPAC Name: [3-ethyl-5-(3-hydroxypropoxy)phenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-ethyl-5-(3-hydroxypropoxy)phenyl] ester Formula: C18H22O7S2 MolecularWeight: 414.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCO

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCO

InChI

InChI=1S/C18H22O7S2/c1-3-14-11-15(24-10-6-9-19)13-16(12-14)25-27(22,23)18-8-5-4-7-17(18)26(2,20)21/h4-5,7-8,11-13,19H,3,6,9-10H2,1-2H3