[3-methyl-5-(3-oxidanylidenepropoxy)phenyl] 2-methoxybenzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylidenepropoxy)phenyl] 2-methoxybenzenesulfonate Openeye Name: [3-methyl-5-(3-oxopropoxy)phenyl] 2-methoxybenzenesulfonate CAS Name: 2-methoxybenzenesulfonic acid [3-methyl-5-(3-oxopropoxy)phenyl] ester IUPAC Name: [3-methyl-5-(3-oxopropoxy)phenyl] 2-methoxybenzenesulfonate Traditional Name: 2-methoxybenzenesulfonic acid [3-(3-ketopropoxy)-5-methyl-phenyl] ester Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2OC)OCCC=O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2OC)OCCC=O

InChI

InChI=1S/C17H18O6S/c1-13-10-14(22-9-5-8-18)12-15(11-13)23-24(19,20)17-7-4-3-6-16(17)21-2/h3-4,6-8,10-12H,5,9H2,1-2H3