[5-(hydroxymethyl)-2-methoxy-3-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(hydroxymethyl)-2-methoxy-3-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-(hydroxymethyl)-2-methoxy-3-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(hydroxymethyl)-2-methoxy-3-methylphenyl] ester IUPAC Name: [5-(hydroxymethyl)-2-methoxy-3-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methoxy-3-methyl-5-methylol-phenyl) ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)C)CO

InChI

InChI=1S/C16H18O5S/c1-11-4-6-14(7-5-11)22(18,19)21-15-9-13(10-17)8-12(2)16(15)20-3/h4-9,17H,10H2,1-3H3