methyl 3-(4-methylphenyl)sulfonyl-2-phenylselanyl-propanoate

Systemtic Name: methyl 3-(4-methylphenyl)sulfonyl-2-phenylselanyl-propanoate Openeye Name: methyl 2-phenylselanyl-3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonyl-2-(phenylseleno)propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)sulfonyl-2-phenylselanylpropanoate Traditional Name: 2-(phenylseleno)-3-tosyl-propionic acid methyl ester Formula: C17H18O4SSe MolecularWeight: 397.34742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4SSe/c1-13-8-10-14(11-9-13)22(19,20)12-16(17(18)21-2)23-15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3