[2-[4-(hydroxymethyl)-5-oxaspiro[2.2]pentan-4-yl]-5-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[4-(hydroxymethyl)-5-oxaspiro[2.2]pentan-4-yl]-5-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[4-(hydroxymethyl)-5-oxaspiro[2.2]pentan-4-yl]-5-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[4-(hydroxymethyl)-5-oxaspiro[2.2]pentan-4-yl]-5-methylphenyl] ester IUPAC Name: [2-[4-(hydroxymethyl)-5-oxaspiro[2.2]pentan-4-yl]-5-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-methyl-2-(4-methylol-5-oxaspiro[2.2]pentan-4-yl)phenyl] ester Formula: C19H20O5S MolecularWeight: 360.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C)C3(C4(O3)CC4)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C)C3(C4(O3)CC4)CO

InChI

InChI=1S/C19H20O5S/c1-13-3-6-15(7-4-13)25(21,22)23-17-11-14(2)5-8-16(17)19(12-20)18(24-19)9-10-18/h3-8,11,20H,9-10,12H2,1-2H3