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

Systemtic Name: dimethyl 2-[4-(4-methylphenyl)sulfonyl-3-phenylselanyl-butyl]-2-(phenylmethyl)propanedioate Openeye Name: dimethyl 2-benzyl-2-[3-phenylselanyl-4-(p-tolylsulfonyl)butyl]propanedioate CAS Name: 2-[4-(4-methylphenyl)sulfonyl-3-(phenylseleno)butyl]-2-(phenylmethyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-benzyl-2-[4-(4-methylphenyl)sulfonyl-3-phenylselanylbutyl]propanedioate Traditional Name: 2-benzyl-2-[3-(phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester Formula: C29H32O6SSe MolecularWeight: 587.58578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CCC(CC2=CC=CC=C2)(C(=O)OC)C(=O)OC)[Se]C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CCC(CC2=CC=CC=C2)(C(=O)OC)C(=O)OC)[Se]C3=CC=CC=C3

InChI

InChI=1S/C29H32O6SSe/c1-22-14-16-24(17-15-22)36(32,33)21-26(37-25-12-8-5-9-13-25)18-19-29(27(30)34-2,28(31)35-3)20-23-10-6-4-7-11-23/h4-17,26H,18-21H2,1-3H3