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

Systemtic Name: 4-oxidanyl-3,6-bis(oxidanylidene)-5-(2-oxidanylidenepropyl)heptacosan-5-olate Openeye Name: 5-acetonyl-4-hydroxy-3,6-dioxo-heptacosan-5-olate CAS Name: 4-hydroxy-3,6-dioxo-5-(2-oxopropyl)-5-heptacosanolate IUPAC Name: 4-hydroxy-3,6-dioxo-5-(2-oxopropyl)heptacosan-5-olate Traditional Name: 5-acetonyl-4-hydroxy-3,6-diketo-heptacosan-5-olate Formula: C30H55O5- MolecularWeight: 495.7547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(33)30(35,25-26(3)31)29(34)27(32)5-2/h29,34H,4-25H2,1-3H3/q-1