[2-ethoxy-4-methyl-3-(2-oxidanylideneethyl)phenyl] 3-methylbenzenesulfonate

Systemtic Name: [2-ethoxy-4-methyl-3-(2-oxidanylideneethyl)phenyl] 3-methylbenzenesulfonate Openeye Name: [2-ethoxy-4-methyl-3-(2-oxoethyl)phenyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [2-ethoxy-4-methyl-3-(2-oxoethyl)phenyl] ester IUPAC Name: [2-ethoxy-4-methyl-3-(2-oxoethyl)phenyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [2-ethoxy-3-(2-ketoethyl)-4-methyl-phenyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1CC=O)C)OS(=O)(=O)C2=CC=CC(=C2)C

Isomeric SMILES

CCOC1=C(C=CC(=C1CC=O)C)OS(=O)(=O)C2=CC=CC(=C2)C

InChI

InChI=1S/C18H20O5S/c1-4-22-18-16(10-11-19)14(3)8-9-17(18)23-24(20,21)15-7-5-6-13(2)12-15/h5-9,11-12H,4,10H2,1-3H3