methyl 4-[4-(3-oxidanylidenebutyl)phenoxy]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(3-oxidanylidenebutyl)phenoxy]sulfonylbenzoate Openeye Name: methyl 4-[4-(3-oxobutyl)phenoxy]sulfonylbenzoate CAS Name: 4-[4-(3-oxobutyl)phenoxy]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-oxobutyl)phenoxy]sulfonylbenzoate Traditional Name: 4-[4-(3-ketobutyl)phenoxy]sulfonylbenzoic acid methyl ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H18O6S/c1-13(19)3-4-14-5-9-16(10-6-14)24-25(21,22)17-11-7-15(8-12-17)18(20)23-2/h5-12H,3-4H2,1-2H3