1-[3,5-dimethyl-4-[[4-oxidanyl-3-(phenylsulfonyl)phenyl]methyl]phenoxy]propan-2-one

Systemtic Name: 1-[3,5-dimethyl-4-[[4-oxidanyl-3-(phenylsulfonyl)phenyl]methyl]phenoxy]propan-2-one Openeye Name: 1-[4-[[3-(benzenesulfonyl)-4-hydroxy-phenyl]methyl]-3,5-dimethyl-phenoxy]propan-2-one CAS Name: 1-[4-[[3-(benzenesulfonyl)-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]-2-propanone IUPAC Name: 1-[4-[[3-(benzenesulfonyl)-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]propan-2-one Traditional Name: 1-[4-(3-besyl-4-hydroxy-benzyl)-3,5-dimethyl-phenoxy]acetone Formula: C24H24O5S MolecularWeight: 424.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3)C)OCC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3)C)OCC(=O)C

InChI

InChI=1S/C24H24O5S/c1-16-11-20(29-15-18(3)25)12-17(2)22(16)13-19-9-10-23(26)24(14-19)30(27,28)21-7-5-4-6-8-21/h4-12,14,26H,13,15H2,1-3H3