4-oxidanyl-3,6-bis(oxidanylidene)-5-(2-oxidanylidenebutyl)heptacosan-5-olate

Systemtic Name: 4-oxidanyl-3,6-bis(oxidanylidene)-5-(2-oxidanylidenebutyl)heptacosan-5-olate Openeye Name: 4-hydroxy-3,6-dioxo-5-(2-oxobutyl)heptacosan-5-olate CAS Name: 4-hydroxy-3,6-dioxo-5-(2-oxobutyl)-5-heptacosanolate IUPAC Name: 4-hydroxy-3,6-dioxo-5-(2-oxobutyl)heptacosan-5-olate Traditional Name: 4-hydroxy-3,6-diketo-5-(2-ketobutyl)heptacosan-5-olate Formula: C31H57O5- MolecularWeight: 509.78128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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