benzoic acid; 1-[3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: benzoic acid; 1-[3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]-5-methyl-pyrimidine-2,4-dione Openeye Name: benzoic acid; 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione CAS Name: benzoic acid; 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione IUPAC Name: benzoic acid; 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione Traditional Name: benzoic acid; 1-(3-hydroxy-4-methylol-cyclopentyl)-5-methyl-pyrimidine-2,4-quinone Formula: C25H28N2O8 MolecularWeight: 484.49842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(C2)O)CO.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(C2)O)CO.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H16N2O4.2C7H6O2/c1-6-4-13(11(17)12-10(6)16)8-2-7(5-14)9(15)3-8;2*8-7(9)6-4-2-1-3-5-6/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17);2*1-5H,(H,8,9)