2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanylmethyl]hexanal

Systemtic Name: 2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanylmethyl]hexanal Openeye Name: 2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanylmethyl]hexanal CAS Name: 2-butyl-2-[[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]thio]methyl]hexanal IUPAC Name: 2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]sulfanylmethyl]hexanal Traditional Name: 2-butyl-2-[[(4-nitro-2-p-anisyl-phenyl)thio]methyl]hexanal Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CSC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)OC)C=O

Isomeric SMILES

CCCCC(CCCC)(CSC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)OC)C=O

InChI

InChI=1S/C25H33NO4S/c1-4-6-14-25(18-27,15-7-5-2)19-31-24-13-10-22(26(28)29)17-21(24)16-20-8-11-23(30-3)12-9-20/h8-13,17-18H,4-7,14-16,19H2,1-3H3