4-(6-hexan-2-yl-5-methyl-pentadecan-6-yl)oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(6-hexan-2-yl-5-methyl-pentadecan-6-yl)oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[1,1-bis(1-methylpentyl)decoxy]-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-(6-hexan-2-yl-5-methylpentadecan-6-yl)oxy-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-(6-hexan-2-yl-5-methylpentadecan-6-yl)oxy-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[1,1-bis(1-methylpentyl)decoxy]-2,3-dihydroxy-4-keto-butyric acid Formula: C26H50O6 MolecularWeight: 458.6716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)CCCC)(C(C)CCCC)OC(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCC(C(C)CCCC)(C(C)CCCC)OC(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C26H50O6/c1-6-9-12-13-14-15-16-19-26(20(4)17-10-7-2,21(5)18-11-8-3)32-25(31)23(28)22(27)24(29)30/h20-23,27-28H,6-19H2,1-5H3,(H,29,30)