5-bromanyl-1-[4-dodecanoyl-4-oxidanyl-5-(1-oxidanyl-2-oxidanylidene-tridecyl)oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 5-bromanyl-1-[4-dodecanoyl-4-oxidanyl-5-(1-oxidanyl-2-oxidanylidene-tridecyl)oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 5-bromo-1-[4-dodecanoyl-4-hydroxy-5-(1-hydroxy-2-oxo-tridecyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione CAS Name: 5-bromo-1-[4-hydroxy-5-(1-hydroxy-2-oxotridecyl)-4-(1-oxododecyl)-2-oxolanyl]pyrimidine-2,4-dione IUPAC Name: 5-bromo-1-[4-dodecanoyl-4-hydroxy-5-(1-hydroxy-2-oxotridecyl)oxolan-2-yl]pyrimidine-2,4-dione Traditional Name: 5-bromo-1-[4-hydroxy-5-(1-hydroxy-2-keto-tridecyl)-4-lauroyl-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C33H55BrN2O7 MolecularWeight: 671.703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=C(C(=O)NC2=O)Br)(C(=O)CCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=C(C(=O)NC2=O)Br)(C(=O)CCCCCCCCCCC)O)O

InChI

InChI=1S/C33H55BrN2O7/c1-3-5-7-9-11-13-15-17-19-21-26(37)29(39)30-33(42,27(38)22-20-18-16-14-12-10-8-6-4-2)23-28(43-30)36-24-25(34)31(40)35-32(36)41/h24,28-30,39,42H,3-23H2,1-2H3,(H,35,40,41)