methyl 3-[4-[[4-(3-methoxy-3-oxidanylidene-propyl)sulfonylphenyl]methyl]phenyl]sulfonylpropanoate

Systemtic Name: methyl 3-[4-[[4-(3-methoxy-3-oxidanylidene-propyl)sulfonylphenyl]methyl]phenyl]sulfonylpropanoate Openeye Name: methyl 3-[4-[[4-(3-methoxy-3-oxo-propyl)sulfonylphenyl]methyl]phenyl]sulfonylpropanoate CAS Name: 3-[4-[[4-(3-methoxy-3-oxopropyl)sulfonylphenyl]methyl]phenyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)sulfonylphenyl]methyl]phenyl]sulfonylpropanoate Traditional Name: 3-[4-[4-(3-keto-3-methoxy-propyl)sulfonylbenzyl]phenyl]sulfonylpropionic acid methyl ester Formula: C21H24O8S2 MolecularWeight: 468.54046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)CCC(=O)OC

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)CCC(=O)OC

InChI

InChI=1S/C21H24O8S2/c1-28-20(22)11-13-30(24,25)18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)31(26,27)14-12-21(23)29-2/h3-10H,11-15H2,1-2H3