[5-(4-methylphenyl)sulfonyl-4-phenylselanyl-pentyl] benzoate

Systemtic Name: [5-(4-methylphenyl)sulfonyl-4-phenylselanyl-pentyl] benzoate Openeye Name: [4-phenylselanyl-5-(p-tolylsulfonyl)pentyl] benzoate CAS Name: benzoic acid [5-(4-methylphenyl)sulfonyl-4-(phenylseleno)pentyl] ester IUPAC Name: [5-(4-methylphenyl)sulfonyl-4-phenylselanylpentyl] benzoate Traditional Name: benzoic acid [4-(phenylseleno)-5-tosyl-pentyl] ester Formula: C25H26O4SSe MolecularWeight: 501.49654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O4SSe/c1-20-14-16-22(17-15-20)30(27,28)19-24(31-23-11-6-3-7-12-23)13-8-18-29-25(26)21-9-4-2-5-10-21/h2-7,9-12,14-17,24H,8,13,18-19H2,1H3