[2-(hydroxymethyl)-3-(3-methoxyphenyl)propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3-(3-methoxyphenyl)propyl] 4-methylbenzenesulfonate Openeye Name: [2-(hydroxymethyl)-3-(3-methoxyphenyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-3-(3-methoxyphenyl)propyl] ester IUPAC Name: [2-(hydroxymethyl)-3-(3-methoxyphenyl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-hydroxy-2-(3-methoxybenzyl)propyl] ester Formula: C18H22O5S MolecularWeight: 351.421935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC(=CC=C2)OC)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)[13CH2]C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H22O5S/c1-14-6-8-18(9-7-14)24(20,21)23-13-16(12-19)10-15-4-3-5-17(11-15)22-2/h3-9,11,16,19H,10,12-13H2,1-2H3/i10+1