4-(9-octylicosan-10-yloxy)-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(9-octylicosan-10-yloxy)-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-hydroxy-4-[1-(1-octylnonyl)undecoxy]-4-oxo-butanoic acid CAS Name: 3-hydroxy-4-(9-octyleicosan-10-yloxy)-4-oxobutanoic acid IUPAC Name: 3-hydroxy-4-(9-octylicosan-10-yloxy)-4-oxobutanoic acid Traditional Name: 3-hydroxy-4-keto-4-[1-(1-octylnonyl)undecoxy]butyric acid Formula: C32H62O5 MolecularWeight: 526.83168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCCCCCCC)CCCCCCCC)OC(=O)C(CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCC(C(CCCCCCCC)CCCCCCCC)OC(=O)C(CC(=O)O)O

InChI

InChI=1S/C32H62O5/c1-4-7-10-13-16-17-20-23-26-30(37-32(36)29(33)27-31(34)35)28(24-21-18-14-11-8-5-2)25-22-19-15-12-9-6-3/h28-30,33H,4-27H2,1-3H3,(H,34,35)