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

Systemtic Name: 2-[[oxidanyl(1-thiophen-3-ylpropyl)phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[1-(3-thienyl)propyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[1-(3-thiophenyl)propyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy(1-thiophen-3-ylpropyl)phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[1-(3-thienyl)propyl]phosphoryl]methyl]glutaric acid Formula: C13H19O6PS MolecularWeight: 334.325121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19O6PS/c1-2-11(10-5-6-21-8-10)20(18,19)7-9(13(16)17)3-4-12(14)15/h5-6,8-9,11H,2-4,7H2,1H3,(H,14,15)(H,16,17)(H,18,19)