[2-(3-hydroxyphenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-hydroxyphenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(3-hydroxyphenyl)-2-tetrahydropyran-2-yloxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-hydroxyphenyl)-2-(2-oxanyloxy)ethyl] ester IUPAC Name: [2-(3-hydroxyphenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-hydroxyphenyl)-2-tetrahydropyran-2-yloxy-ethyl] ester Formula: C20H24O6S MolecularWeight: 392.46596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O6S/c1-15-8-10-18(11-9-15)27(22,23)25-14-19(16-5-4-6-17(21)13-16)26-20-7-2-3-12-24-20/h4-6,8-11,13,19-21H,2-3,7,12,14H2,1H3