1-methyl-4-[(3E)-3-phenylselanyl-1,1-bis(phenylsulfonyl)octa-1,3-dien-4-yl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[(3E)-3-phenylselanyl-1,1-bis(phenylsulfonyl)octa-1,3-dien-4-yl]sulfonyl-benzene Openeye Name: 1-[(1E)-1-[3,3-bis(benzenesulfonyl)-1-phenylselanyl-prop-2-enylidene]pentyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(3E)-1,1-bis(benzenesulfonyl)-3-(phenylseleno)octa-1,3-dien-4-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(3E)-1,1-bis(benzenesulfonyl)-3-phenylselanylocta-1,3-dien-4-yl]sulfonyl-4-methylbenzene Traditional Name: 1-[(1E)-4,4-dibesyl-1-butyl-2-(phenylseleno)buta-1,3-dienyl]sulfonyl-4-methyl-benzene Formula: C33H32O6S3Se MolecularWeight: 699.75858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C=C(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)[Se]C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC/C(=C(/C=C(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)\[Se]C3=CC=CC=C3)/S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H32O6S3Se/c1-3-4-20-31(40(34,35)29-23-21-26(2)22-24-29)32(43-30-18-12-7-13-19-30)25-33(41(36,37)27-14-8-5-9-15-27)42(38,39)28-16-10-6-11-17-28/h5-19,21-25H,3-4,20H2,1-2H3/b32-31+