6,7-bis(oxidanyl)-7-(2-oxidanylidenepropyl)heptacosane-5,8-dione

Systemtic Name: 6,7-bis(oxidanyl)-7-(2-oxidanylidenepropyl)heptacosane-5,8-dione Openeye Name: 7-acetonyl-6,7-dihydroxy-heptacosane-5,8-dione CAS Name: 6,7-dihydroxy-7-(2-oxopropyl)heptacosane-5,8-dione IUPAC Name: 6,7-dihydroxy-7-(2-oxopropyl)heptacosane-5,8-dione Traditional Name: 7-acetonyl-6,7-dihydroxy-heptacosane-5,8-dione Formula: C30H56O5 MolecularWeight: 496.76264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56O5/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(33)30(35,25-26(3)31)29(34)27(32)23-7-5-2/h29,34-35H,4-25H2,1-3H3