3-methyl-4-[tris[3-(trichloromethyl)phenyl]methoxy]butan-2-amine

Systemtic Name: 3-methyl-4-[tris[3-(trichloromethyl)phenyl]methoxy]butan-2-amine Openeye Name: 3-methyl-4-[tris[3-(trichloromethyl)phenyl]methoxy]butan-2-amine CAS Name: 3-methyl-4-[tris[3-(trichloromethyl)phenyl]methoxy]-2-butanamine IUPAC Name: 3-methyl-4-[tris[3-(trichloromethyl)phenyl]methoxy]butan-2-amine Traditional Name: [1,2-dimethyl-3-[tris[3-(trichloromethyl)phenyl]methoxy]propyl]amine Formula: C27H24Cl9NO MolecularWeight: 697.56256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(C1=CC(=CC=C1)C(Cl)(Cl)Cl)(C2=CC(=CC=C2)C(Cl)(Cl)Cl)C3=CC(=CC=C3)C(Cl)(Cl)Cl)C(C)N

Isomeric SMILES

CC(COC(C1=CC(=CC=C1)C(Cl)(Cl)Cl)(C2=CC(=CC=C2)C(Cl)(Cl)Cl)C3=CC(=CC=C3)C(Cl)(Cl)Cl)C(C)N

InChI

InChI=1S/C27H24Cl9NO/c1-16(17(2)37)15-38-24(18-6-3-9-21(12-18)25(28,29)30,19-7-4-10-22(13-19)26(31,32)33)20-8-5-11-23(14-20)27(34,35)36/h3-14,16-17H,15,37H2,1-2H3