3-butyl-1-[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanyl-heptan-2-ol

Systemtic Name: 3-butyl-1-[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanyl-heptan-2-ol Openeye Name: 3-butyl-1-[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfanyl-heptan-2-ol CAS Name: 3-butyl-1-[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]thio]-2-heptanol IUPAC Name: 3-butyl-1-[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]sulfanylheptan-2-ol Traditional Name: 3-butyl-1-[(4-nitro-2-p-anisyl-phenyl)thio]heptan-2-ol Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO4S/c1-4-6-8-20(9-7-5-2)24(27)18-31-25-15-12-22(26(28)29)17-21(25)16-19-10-13-23(30-3)14-11-19/h10-15,17,20,24,27H,4-9,16,18H2,1-3H3