[4-(hydroxymethyl)-3-[2-(5-methoxy-2,2-dimethyl-chromen-6-yl)-2-oxidanylidene-ethoxy]phenyl] methanesulfonate

Systemtic Name: [4-(hydroxymethyl)-3-[2-(5-methoxy-2,2-dimethyl-chromen-6-yl)-2-oxidanylidene-ethoxy]phenyl] methanesulfonate Openeye Name: [4-(hydroxymethyl)-3-[2-(5-methoxy-2,2-dimethyl-chromen-6-yl)-2-oxo-ethoxy]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(hydroxymethyl)-3-[2-(5-methoxy-2,2-dimethyl-1-benzopyran-6-yl)-2-oxoethoxy]phenyl] ester IUPAC Name: [4-(hydroxymethyl)-3-[2-(5-methoxy-2,2-dimethylchromen-6-yl)-2-oxoethoxy]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-keto-2-(5-methoxy-2,2-dimethyl-chromen-6-yl)ethoxy]-4-methylol-phenyl] ester Formula: C22H24O8S MolecularWeight: 448.48616

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)COC3=C(C=CC(=C3)OS(=O)(=O)C)CO)C

Isomeric SMILES

CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)COC3=C(C=CC(=C3)OS(=O)(=O)C)CO)C

InChI

InChI=1S/C22H24O8S/c1-22(2)10-9-17-19(29-22)8-7-16(21(17)27-3)18(24)13-28-20-11-15(30-31(4,25)26)6-5-14(20)12-23/h5-11,23H,12-13H2,1-4H3