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

Systemtic Name: benzoic acid; 5-(bromomethyl)-1-[3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione Openeye Name: benzoic acid; 5-(bromomethyl)-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione CAS Name: benzoic acid; 5-(bromomethyl)-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione IUPAC Name: benzoic acid; 5-(bromomethyl)-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione Traditional Name: benzoic acid; 5-(bromomethyl)-1-(3-hydroxy-4-methylol-cyclopentyl)pyrimidine-2,4-quinone Formula: C25H27BrN2O8 MolecularWeight: 563.39448

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)CBr.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)CBr.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H15BrN2O4.2C7H6O2/c12-3-7-4-14(11(18)13-10(7)17)8-1-6(5-15)9(16)2-8;2*8-7(9)6-4-2-1-3-5-6/h4,6,8-9,15-16H,1-3,5H2,(H,13,17,18);2*1-5H,(H,8,9)