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

Systemtic Name: benzoic acid; 5-ethyl-1-[3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione Openeye Name: benzoic acid; 5-ethyl-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione CAS Name: benzoic acid; 5-ethyl-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione IUPAC Name: benzoic acid; 5-ethyl-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione Traditional Name: benzoic acid; 5-ethyl-1-(3-hydroxy-4-methylol-cyclopentyl)pyrimidine-2,4-quinone Formula: C26H30N2O8 MolecularWeight: 498.525

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C12H18N2O4.2C7H6O2/c1-2-7-5-14(12(18)13-11(7)17)9-3-8(6-15)10(16)4-9;2*8-7(9)6-4-2-1-3-5-6/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18);2*1-5H,(H,8,9)