6-ethanoyl-5-oxidanyl-4,8-bis(oxidanylidene)nonacosan-6-olate

Systemtic Name: 6-ethanoyl-5-oxidanyl-4,8-bis(oxidanylidene)nonacosan-6-olate Openeye Name: 6-acetyl-5-hydroxy-4,8-dioxo-nonacosan-6-olate CAS Name: 6-acetyl-5-hydroxy-4,8-dioxo-6-nonacosanolate IUPAC Name: 6-acetyl-5-hydroxy-4,8-dioxononacosan-6-olate Traditional Name: 6-acetyl-5-hydroxy-4,8-diketo-nonacosan-6-olate Formula: C31H57O5- MolecularWeight: 509.78128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCC)O)(C(=O)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCC)O)(C(=O)C)[O-]

InChI

InChI=1S/C31H57O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(33)26-31(36,27(3)32)30(35)29(34)24-5-2/h30,35H,4-26H2,1-3H3/q-1