benzoic acid; 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: benzoic acid; 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: benzoic acid; 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: benzoic acid; 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: benzoic acid; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: benzoic acid; 1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-5-methyl-pyrimidine-2,4-quinone Formula: C24H26N2O9 MolecularWeight: 486.47124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H14N2O5.2C7H6O2/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8;2*8-7(9)6-4-2-1-3-5-6/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16);2*1-5H,(H,8,9)