4-(7-heptan-2-yl-6-methyl-heptadecan-7-yl)oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(7-heptan-2-yl-6-methyl-heptadecan-7-yl)oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[1,1-bis(1-methylhexyl)undecoxy]-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-(7-heptan-2-yl-6-methylheptadecan-7-yl)oxy-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-(7-heptan-2-yl-6-methylheptadecan-7-yl)oxy-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[1,1-bis(1-methylhexyl)undecoxy]-2,3-dihydroxy-4-keto-butyric acid Formula: C29H56O6 MolecularWeight: 500.75134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(C)CCCCC)(C(C)CCCCC)OC(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCC(C(C)CCCCC)(C(C)CCCCC)OC(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C29H56O6/c1-6-9-12-13-14-15-16-19-22-29(23(4)20-17-10-7-2,24(5)21-18-11-8-3)35-28(34)26(31)25(30)27(32)33/h23-26,30-31H,6-22H2,1-5H3,(H,32,33)