[2-[4-(oxan-2-yloxy)phenyl]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[4-(oxan-2-yloxy)phenyl]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-oxo-2-(4-tetrahydropyran-2-yloxyphenyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[4-(2-oxanyloxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(oxan-2-yloxy)phenyl]-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-(4-tetrahydropyran-2-yloxyphenyl)ethyl] ester Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=C(C=C2)OC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=C(C=C2)OC3CCCCO3

InChI

InChI=1S/C20H22O6S/c1-15-5-11-18(12-6-15)27(22,23)25-14-19(21)16-7-9-17(10-8-16)26-20-4-2-3-13-24-20/h5-12,20H,2-4,13-14H2,1H3