21,22-bis(oxidanyl)-22-propanoyl-tritetracontane-20,24-dione

Systemtic Name: 21,22-bis(oxidanyl)-22-propanoyl-tritetracontane-20,24-dione Openeye Name: 21,22-dihydroxy-22-propanoyl-tritetracontane-20,24-dione CAS Name: 21,22-dihydroxy-22-(1-oxopropyl)tritetracontane-20,24-dione IUPAC Name: 21,22-dihydroxy-22-propanoyltritetracontane-20,24-dione Traditional Name: 21,22-dihydroxy-22-propionyl-tritetracontane-20,24-dione Formula: C46H88O5 MolecularWeight: 721.18792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H88O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(47)41-46(51,44(49)6-3)45(50)43(48)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h45,50-51H,4-41H2,1-3H3