5-[6-chloranyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]pentane-1-sulfonic acid

Systemtic Name: 5-[6-chloranyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]pentane-1-sulfonic acid Openeye Name: 5-(6-chloro-2,4-dioxo-1H-pyrimidin-5-yl)pentane-1-sulfonic acid CAS Name: 5-(6-chloro-2,4-dioxo-1H-pyrimidin-5-yl)-1-pentanesulfonic acid IUPAC Name: 5-(6-chloro-2,4-dioxo-1H-pyrimidin-5-yl)pentane-1-sulfonic acid Traditional Name: 5-(6-chloro-2,4-diketo-1H-pyrimidin-5-yl)pentane-1-sulfonic acid Formula: C9H13ClN2O5S MolecularWeight: 296.72792

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC1=C(NC(=O)NC1=O)Cl)CCS(=O)(=O)O

Isomeric SMILES

C(CCC1=C(NC(=O)NC1=O)Cl)CCS(=O)(=O)O

InChI

InChI=1S/C9H13ClN2O5S/c10-7-6(8(13)12-9(14)11-7)4-2-1-3-5-18(15,16)17/h1-5H2,(H,15,16,17)(H2,11,12,13,14)