(E)-2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfonylmethyl]hex-4-enal

Systemtic Name: (E)-2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfonylmethyl]hex-4-enal Openeye Name: (E)-2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfonylmethyl]hex-4-enal CAS Name: (E)-2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]sulfonylmethyl]-4-hexenal IUPAC Name: (E)-2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]sulfonylmethyl]hex-4-enal Traditional Name: (E)-2-butyl-2-[(4-nitro-2-p-anisyl-phenyl)sulfonylmethyl]hex-4-enal Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC=CC)(CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)OC)C=O

Isomeric SMILES

CCCCC(C/C=C/C)(CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)OC)C=O

InChI

InChI=1S/C25H31NO6S/c1-4-6-14-25(18-27,15-7-5-2)19-33(30,31)24-13-10-22(26(28)29)17-21(24)16-20-8-11-23(32-3)12-9-20/h4,6,8-13,17-18H,5,7,14-16,19H2,1-3H3/b6-4+