[4-[3-[3-(2-ethoxy-3-oxidanyl-propyl)phenoxy]propyl]phenyl] methanesulfonate

Systemtic Name: [4-[3-[3-(2-ethoxy-3-oxidanyl-propyl)phenoxy]propyl]phenyl] methanesulfonate Openeye Name: [4-[3-[3-(2-ethoxy-3-hydroxy-propyl)phenoxy]propyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[3-(2-ethoxy-3-hydroxypropyl)phenoxy]propyl]phenyl] ester IUPAC Name: [4-[3-[3-(2-ethoxy-3-hydroxypropyl)phenoxy]propyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-[3-(2-ethoxy-3-hydroxy-propyl)phenoxy]propyl]phenyl] ester Formula: C21H28O6S MolecularWeight: 408.50842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=CC=C1)OCCCC2=CC=C(C=C2)OS(=O)(=O)C)CO

Isomeric SMILES

CCOC(CC1=CC(=CC=C1)OCCCC2=CC=C(C=C2)OS(=O)(=O)C)CO

InChI

InChI=1S/C21H28O6S/c1-3-25-21(16-22)15-18-6-4-8-20(14-18)26-13-5-7-17-9-11-19(12-10-17)27-28(2,23)24/h4,6,8-12,14,21-22H,3,5,7,13,15-16H2,1-2H3