4-hexadecyl-7,8-bis(oxidanyl)-4-propanoyl-octane-3,5-dione

Systemtic Name: 4-hexadecyl-7,8-bis(oxidanyl)-4-propanoyl-octane-3,5-dione Openeye Name: 4-hexadecyl-7,8-dihydroxy-4-propanoyl-octane-3,5-dione CAS Name: 4-hexadecyl-7,8-dihydroxy-4-(1-oxopropyl)octane-3,5-dione IUPAC Name: 4-hexadecyl-7,8-dihydroxy-4-propanoyloctane-3,5-dione Traditional Name: 4-cetyl-7,8-dihydroxy-4-propionyl-octane-3,5-dione Formula: C27H50O5 MolecularWeight: 454.6829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)CC)(C(=O)CC)C(=O)CC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)CC)(C(=O)CC)C(=O)CC(CO)O

InChI

InChI=1S/C27H50O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(24(30)5-2,25(31)6-3)26(32)21-23(29)22-28/h23,28-29H,4-22H2,1-3H3