[4-[2-[4-[(2S)-2-ethoxy-3-oxidanylidene-butyl]phenoxy]ethyl]phenyl] methanesulfonate

Systemtic Name: [4-[2-[4-[(2S)-2-ethoxy-3-oxidanylidene-butyl]phenoxy]ethyl]phenyl] methanesulfonate Openeye Name: [4-[2-[4-[(2S)-2-ethoxy-3-oxo-butyl]phenoxy]ethyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-[4-[(2S)-2-ethoxy-3-oxobutyl]phenoxy]ethyl]phenyl] ester IUPAC Name: [4-[2-[4-[(2S)-2-ethoxy-3-oxobutyl]phenoxy]ethyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-[4-[(2S)-2-ethoxy-3-keto-butyl]phenoxy]ethyl]phenyl] ester Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)C

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)C

InChI

InChI=1S/C21H26O6S/c1-4-25-21(16(2)22)15-18-7-9-19(10-8-18)26-14-13-17-5-11-20(12-6-17)27-28(3,23)24/h5-12,21H,4,13-15H2,1-3H3/t21-/m0/s1