butan-1-amine; 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidanidyl-phenyl]sulfanyl-phenolate

Systemtic Name: butan-1-amine; 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidanidyl-phenyl]sulfanyl-phenolate Openeye Name: butan-1-amine; 4-(1,1-dimethylhexyl)-2-[5-(1,1-dimethylhexyl)-2-oxido-phenyl]sulfanyl-phenolate CAS Name: 1-butanamine; 4-(2-methylheptan-2-yl)-2-[[5-(2-methylheptan-2-yl)-2-oxidophenyl]thio]phenolate IUPAC Name: butan-1-amine; 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidophenyl]sulfanylphenolate Traditional Name: butylamine; 4-(1,1-dimethylhexyl)-2-[[5-(1,1-dimethylhexyl)-2-oxido-phenyl]thio]phenolate Formula: C32H51NO2S-2 MolecularWeight: 513.81784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CCCCC)[O-].CCCCN

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CCCCC)[O-].CCCCN

InChI

InChI=1S/C28H42O2S.C4H11N/c1-7-9-11-17-27(3,4)21-13-15-23(29)25(19-21)31-26-20-22(14-16-24(26)30)28(5,6)18-12-10-8-2;1-2-3-4-5/h13-16,19-20,29-30H,7-12,17-18H2,1-6H3;2-5H2,1H3/p-2