20-ethanoyl-19-oxidanyl-18,22-bis(oxidanylidene)nonatriacontan-20-olate; 3-oxidanyl-2,5-bis(oxidanylidene)-4-(2-oxidanylidenepropyl)docosan-4-olate

Systemtic Name: 20-ethanoyl-19-oxidanyl-18,22-bis(oxidanylidene)nonatriacontan-20-olate; 3-oxidanyl-2,5-bis(oxidanylidene)-4-(2-oxidanylidenepropyl)docosan-4-olate Openeye Name: 4-acetonyl-3-hydroxy-2,5-dioxo-docosan-4-olate; 20-acetyl-19-hydroxy-18,22-dioxo-nonatriacontan-20-olate CAS Name: 20-acetyl-19-hydroxy-18,22-dioxo-20-nonatriacontanolate; 3-hydroxy-2,5-dioxo-4-(2-oxopropyl)-4-docosanolate IUPAC Name: 20-acetyl-19-hydroxy-18,22-dioxononatriacontan-20-olate; 3-hydroxy-2,5-dioxo-4-(2-oxopropyl)docosan-4-olate Traditional Name: 4-acetonyl-3-hydroxy-2,5-diketo-docosan-4-olate; 20-acetyl-19-hydroxy-18,22-diketo-nonatriacontan-20-olate Formula: C66H122O10-2 MolecularWeight: 1075.66888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)C)[O-].CCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C)(C(C(=O)C)O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)C)[O-].CCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C)(C(C(=O)C)O)[O-]

InChI

InChI=1S/C41H77O5.C25H45O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(43)36-41(46,37(3)42)40(45)39(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)25(30,20-21(2)26)24(29)22(3)27/h40,45H,4-36H2,1-3H3;24,29H,4-20H2,1-3H3/q2*-1