methyl 4-[4-(4-methylphenyl)sulfonyl-3-phenylselanyl-butoxy]benzoate

Systemtic Name: methyl 4-[4-(4-methylphenyl)sulfonyl-3-phenylselanyl-butoxy]benzoate Openeye Name: methyl 4-[3-phenylselanyl-4-(p-tolylsulfonyl)butoxy]benzoate CAS Name: 4-[4-(4-methylphenyl)sulfonyl-3-(phenylseleno)butoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylphenyl)sulfonyl-3-phenylselanylbutoxy]benzoate Traditional Name: 4-[3-(phenylseleno)-4-tosyl-butoxy]benzoic acid methyl ester Formula: C25H26O5SSe MolecularWeight: 517.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CCOC2=CC=C(C=C2)C(=O)OC)[Se]C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CCOC2=CC=C(C=C2)C(=O)OC)[Se]C3=CC=CC=C3

InChI

InChI=1S/C25H26O5SSe/c1-19-8-14-22(15-9-19)31(27,28)18-24(32-23-6-4-3-5-7-23)16-17-30-21-12-10-20(11-13-21)25(26)29-2/h3-15,24H,16-18H2,1-2H3