18-butanoyl-17-oxidanyl-16,20-bis(oxidanylidene)hentetracontan-18-olate; 20-butanoyl-19-oxidanyl-18,22-bis(oxidanylidene)hentetracontan-20-olate

Systemtic Name: 18-butanoyl-17-oxidanyl-16,20-bis(oxidanylidene)hentetracontan-18-olate; 20-butanoyl-19-oxidanyl-18,22-bis(oxidanylidene)hentetracontan-20-olate Openeye Name: 18-butanoyl-17-hydroxy-16,20-dioxo-hentetracontan-18-olate; 20-butanoyl-19-hydroxy-18,22-dioxo-hentetracontan-20-olate CAS Name: 17-hydroxy-16,20-dioxo-18-(1-oxobutyl)-18-hentetracontanolate; 19-hydroxy-18,22-dioxo-20-(1-oxobutyl)-20-hentetracontanolate IUPAC Name: 18-butanoyl-17-hydroxy-16,20-dioxohentetracontan-18-olate; 20-butanoyl-19-hydroxy-18,22-dioxohentetracontan-20-olate Traditional Name: 18-butyryl-17-hydroxy-16,20-diketo-hentetracontan-18-olate; 20-butyryl-19-hydroxy-18,22-diketo-hentetracontan-20-olate Formula: C90H170O10-2 MolecularWeight: 1412.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C45H85O5/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-38-41(46)40-45(50,43(48)37-6-3)44(49)42(47)39-36-34-32-30-28-25-18-16-14-12-10-8-5-2;1-4-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-38-41(46)40-45(50,43(48)37-6-3)44(49)42(47)39-36-34-32-30-28-26-23-20-18-16-14-12-10-8-5-2/h2*44,49H,4-40H2,1-3H3/q2*-1