2-[oxidanyl(1-thiophen-3-ylpropyl)phosphoryl]oxypentanedioic acid

Systemtic Name: 2-[oxidanyl(1-thiophen-3-ylpropyl)phosphoryl]oxypentanedioic acid Openeye Name: 2-[hydroxy-[1-(3-thienyl)propyl]phosphoryl]oxypentanedioic acid CAS Name: 2-[hydroxy-[1-(3-thiophenyl)propyl]phosphoryl]oxypentanedioic acid IUPAC Name: 2-[hydroxy(1-thiophen-3-ylpropyl)phosphoryl]oxypentanedioic acid Traditional Name: 2-[hydroxy-[1-(3-thienyl)propyl]phosphoryl]oxyglutaric acid Formula: C12H17O7PS MolecularWeight: 336.297941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CSC=C1)P(=O)(O)OC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=CSC=C1)P(=O)(O)OC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H17O7PS/c1-2-10(8-5-6-21-7-8)20(17,18)19-9(12(15)16)3-4-11(13)14/h5-7,9-10H,2-4H2,1H3,(H,13,14)(H,15,16)(H,17,18)