1-methyl-4-[(1E,3E)-1-(4-nitrophenyl)-3-phenylselanyl-octa-1,3-dien-2-yl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[(1E,3E)-1-(4-nitrophenyl)-3-phenylselanyl-octa-1,3-dien-2-yl]sulfonyl-benzene Openeye Name: 1-methyl-4-[(E,1E)-1-[(4-nitrophenyl)methylene]-2-phenylselanyl-hept-2-enyl]sulfonyl-benzene CAS Name: 1-methyl-4-[(1E,3E)-1-(4-nitrophenyl)-3-(phenylseleno)octa-1,3-dien-2-yl]sulfonylbenzene IUPAC Name: 1-methyl-4-[(1E,3E)-1-(4-nitrophenyl)-3-phenylselanylocta-1,3-dien-2-yl]sulfonylbenzene Traditional Name: 1-methyl-4-[(E,1E)-1-(4-nitrobenzylidene)-2-(phenylseleno)hept-2-enyl]sulfonyl-benzene Formula: C27H27NO4SSe MolecularWeight: 540.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(C(=CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C)[Se]C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4SSe/c1-3-4-6-11-27(34-25-9-7-5-8-10-25)26(20-22-14-16-23(17-15-22)28(29)30)33(31,32)24-18-12-21(2)13-19-24/h5,7-20H,3-4,6H2,1-2H3/b26-20+,27-11+