4-[4-[4-(3-oxidanylidenebutylsulfonyl)phenoxy]phenyl]sulfonylbutan-2-one

Systemtic Name: 4-[4-[4-(3-oxidanylidenebutylsulfonyl)phenoxy]phenyl]sulfonylbutan-2-one Openeye Name: 4-[4-[4-(3-oxobutylsulfonyl)phenoxy]phenyl]sulfonylbutan-2-one CAS Name: 4-[4-[4-(3-oxobutylsulfonyl)phenoxy]phenyl]sulfonyl-2-butanone IUPAC Name: 4-[4-[4-(3-oxobutylsulfonyl)phenoxy]phenyl]sulfonylbutan-2-one Traditional Name: 4-[4-[4-(3-ketobutylsulfonyl)phenoxy]phenyl]sulfonylbutan-2-one Formula: C20H22O7S2 MolecularWeight: 438.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CCC(=O)C

Isomeric SMILES

CC(=O)CCS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CCC(=O)C

InChI

InChI=1S/C20H22O7S2/c1-15(21)11-13-28(23,24)19-7-3-17(4-8-19)27-18-5-9-20(10-6-18)29(25,26)14-12-16(2)22/h3-10H,11-14H2,1-2H3