3-[2,3-bis(oxidanyl)propanoyl]-2,2-di(hexadecanoyl)butanedial

Systemtic Name: 3-[2,3-bis(oxidanyl)propanoyl]-2,2-di(hexadecanoyl)butanedial Openeye Name: 3-(2,3-dihydroxypropanoyl)-2,2-di(hexadecanoyl)butanedial CAS Name: 3-(2,3-dihydroxy-1-oxopropyl)-2,2-bis(1-oxohexadecyl)butanedial IUPAC Name: 3-(2,3-dihydroxypropanoyl)-2,2-di(hexadecanoyl)butanedial Traditional Name: 3-glyceroyl-2,2-di(hexadecanoyl)succinaldehyde Formula: C39H70O7 MolecularWeight: 650.9689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C=O)(C(C=O)C(=O)C(CO)O)C(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C=O)(C(C=O)C(=O)C(CO)O)C(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C39H70O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(44)39(33-42,34(31-40)38(46)35(43)32-41)37(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33-35,41,43H,3-30,32H2,1-2H3