ethyl 3-[4-[4-(3-ethoxy-3-oxidanylidene-propyl)sulfonylphenyl]phenyl]sulfonylpropanoate

Systemtic Name: ethyl 3-[4-[4-(3-ethoxy-3-oxidanylidene-propyl)sulfonylphenyl]phenyl]sulfonylpropanoate Openeye Name: ethyl 3-[4-[4-(3-ethoxy-3-oxo-propyl)sulfonylphenyl]phenyl]sulfonylpropanoate CAS Name: 3-[4-[4-(3-ethoxy-3-oxopropyl)sulfonylphenyl]phenyl]sulfonylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(3-ethoxy-3-oxopropyl)sulfonylphenyl]phenyl]sulfonylpropanoate Traditional Name: 3-[4-[4-(3-ethoxy-3-keto-propyl)sulfonylphenyl]phenyl]sulfonylpropionic acid ethyl ester Formula: C22H26O8S2 MolecularWeight: 482.56704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)CCC(=O)OCC

InChI

InChI=1S/C22H26O8S2/c1-3-29-21(23)13-15-31(25,26)19-9-5-17(6-10-19)18-7-11-20(12-8-18)32(27,28)16-14-22(24)30-4-2/h5-12H,3-4,13-16H2,1-2H3