3,4-bis(oxidanyl)-4-(2-oxidanylidenepropyl)tetracosane-2,5-dione

Systemtic Name: 3,4-bis(oxidanyl)-4-(2-oxidanylidenepropyl)tetracosane-2,5-dione Openeye Name: 4-acetonyl-3,4-dihydroxy-tetracosane-2,5-dione CAS Name: 3,4-dihydroxy-4-(2-oxopropyl)tetracosane-2,5-dione IUPAC Name: 3,4-dihydroxy-4-(2-oxopropyl)tetracosane-2,5-dione Traditional Name: 4-acetonyl-3,4-dihydroxy-tetracosane-2,5-dione Formula: C27H50O5 MolecularWeight: 454.6829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C)(C(C(=O)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C)(C(C(=O)C)O)O

InChI

InChI=1S/C27H50O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(30)27(32,22-23(2)28)26(31)24(3)29/h26,31-32H,4-22H2,1-3H3