20-butanoyl-9,31-dimethyl-19-oxidanyl-18,22-bis(oxidanylidene)nonatriacontan-20-olate

Systemtic Name: 20-butanoyl-9,31-dimethyl-19-oxidanyl-18,22-bis(oxidanylidene)nonatriacontan-20-olate Openeye Name: 20-butanoyl-19-hydroxy-9,31-dimethyl-18,22-dioxo-nonatriacontan-20-olate CAS Name: 19-hydroxy-9,31-dimethyl-18,22-dioxo-20-(1-oxobutyl)-20-nonatriacontanolate IUPAC Name: 20-butanoyl-19-hydroxy-9,31-dimethyl-18,22-dioxononatriacontan-20-olate Traditional Name: 20-butyryl-19-hydroxy-18,22-diketo-9,31-dimethyl-nonatriacontan-20-olate Formula: C45H85O5- MolecularWeight: 706.1534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCC(C)CCCCCCCC)O)(C(=O)CCC)[O-]

Isomeric SMILES

CCCCCCCCC(C)CCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCC(C)CCCCCCCC)O)(C(=O)CCC)[O-]

InChI

InChI=1S/C45H85O5/c1-6-9-11-13-19-25-32-39(4)34-27-21-15-17-23-29-36-41(46)38-45(50,43(48)31-8-3)44(49)42(47)37-30-24-18-16-22-28-35-40(5)33-26-20-14-12-10-7-2/h39-40,44,49H,6-38H2,1-5H3/q-1