2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanylmethyl]hexan-1-ol

Systemtic Name: 2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanylmethyl]hexan-1-ol Openeye Name: 2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanylmethyl]hexan-1-ol CAS Name: 2-butyl-2-[[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]thio]methyl]-1-hexanol IUPAC Name: 2-butyl-2-[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]sulfanylmethyl]hexan-1-ol Traditional Name: 2-butyl-2-[[(4-nitro-2-p-anisyl-phenyl)thio]methyl]hexan-1-ol Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO4S/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/h8-13,17,27H,4-7,14-16,18-19H2,1-3H3