6-ethanoyl-7-oxidanyl-4,8-bis(oxidanylidene)pentacosan-6-olate

Systemtic Name: 6-ethanoyl-7-oxidanyl-4,8-bis(oxidanylidene)pentacosan-6-olate Openeye Name: 6-acetyl-7-hydroxy-4,8-dioxo-pentacosan-6-olate CAS Name: 6-acetyl-7-hydroxy-4,8-dioxo-6-pentacosanolate IUPAC Name: 6-acetyl-7-hydroxy-4,8-dioxopentacosan-6-olate Traditional Name: 6-acetyl-7-hydroxy-4,8-diketo-pentacosan-6-olate Formula: C27H49O5- MolecularWeight: 453.67496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(30)26(31)27(32,23(3)28)22-24(29)20-5-2/h26,31H,4-22H2,1-3H3/q-1