18-butanoyl-17-oxidanyl-16,20-bis(oxidanylidene)nonatriacontan-18-olate

Systemtic Name: 18-butanoyl-17-oxidanyl-16,20-bis(oxidanylidene)nonatriacontan-18-olate Openeye Name: 18-butanoyl-17-hydroxy-16,20-dioxo-nonatriacontan-18-olate CAS Name: 17-hydroxy-16,20-dioxo-18-(1-oxobutyl)-18-nonatriacontanolate IUPAC Name: 18-butanoyl-17-hydroxy-16,20-dioxononatriacontan-18-olate Traditional Name: 18-butyryl-17-hydroxy-16,20-diketo-nonatriacontan-18-olate Formula: C43H81O5- MolecularWeight: 678.10024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)CCC)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)CCC)[O-]

InChI

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