dimethyl 2-[4-(4-methylphenyl)sulfonyl-3-phenylselanyl-butyl]propanedioate

Systemtic Name: dimethyl 2-[4-(4-methylphenyl)sulfonyl-3-phenylselanyl-butyl]propanedioate Openeye Name: dimethyl 2-[3-phenylselanyl-4-(p-tolylsulfonyl)butyl]propanedioate CAS Name: 2-[4-(4-methylphenyl)sulfonyl-3-(phenylseleno)butyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(4-methylphenyl)sulfonyl-3-phenylselanylbutyl]propanedioate Traditional Name: 2-[3-(phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester Formula: C22H26O6SSe MolecularWeight: 497.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CCC(C(=O)OC)C(=O)OC)[Se]C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CCC(C(=O)OC)C(=O)OC)[Se]C2=CC=CC=C2

InChI

InChI=1S/C22H26O6SSe/c1-16-9-11-17(12-10-16)29(25,26)15-19(30-18-7-5-4-6-8-18)13-14-20(21(23)27-2)22(24)28-3/h4-12,19-20H,13-15H2,1-3H3