20-ethanoyl-19-oxidanyl-18,22-bis(oxidanylidene)hentetracontan-20-olate

Systemtic Name: 20-ethanoyl-19-oxidanyl-18,22-bis(oxidanylidene)hentetracontan-20-olate Openeye Name: 20-acetyl-19-hydroxy-18,22-dioxo-hentetracontan-20-olate CAS Name: 20-acetyl-19-hydroxy-18,22-dioxo-20-hentetracontanolate IUPAC Name: 20-acetyl-19-hydroxy-18,22-dioxohentetracontan-20-olate Traditional Name: 20-acetyl-19-hydroxy-18,22-diketo-hentetracontan-20-olate Formula: C43H81O5- MolecularWeight: 678.10024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)C)[O-]

InChI

InChI=1S/C43H81O5/c1-4-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-36-40(45)38-43(48,39(3)44)42(47)41(46)37-35-33-31-29-27-25-22-19-17-15-13-11-9-7-5-2/h42,47H,4-38H2,1-3H3/q-1