1-methyl-4-[2-(4-nitrophenyl)-10-phenyl-deca-2,3-dien-9-yn-4-yl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[2-(4-nitrophenyl)-10-phenyl-deca-2,3-dien-9-yn-4-yl]sulfonyl-benzene Openeye Name: 1-methyl-4-[1-[2-(4-nitrophenyl)prop-1-enylidene]-7-phenyl-hept-6-ynyl]sulfonyl-benzene CAS Name: 1-methyl-4-[2-(4-nitrophenyl)-10-phenyldeca-2,3-dien-9-yn-4-yl]sulfonylbenzene IUPAC Name: 1-methyl-4-[2-(4-nitrophenyl)-10-phenyldeca-2,3-dien-9-yn-4-yl]sulfonylbenzene Traditional Name: 1-methyl-4-[3-(4-nitrophenyl)-1-(6-phenylhex-5-ynyl)buta-1,2-dienyl]sulfonyl-benzene Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C=C(C)C2=CC=C(C=C2)[N+](=O)[O-])CCCCC#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=C=C(C)C2=CC=C(C=C2)[N+](=O)[O-])CCCCC#CC3=CC=CC=C3

InChI

InChI=1S/C29H27NO4S/c1-23-14-20-28(21-15-23)35(33,34)29(13-9-4-3-6-10-25-11-7-5-8-12-25)22-24(2)26-16-18-27(19-17-26)30(31)32/h5,7-8,11-12,14-21H,3-4,9,13H2,1-2H3