2-[(E)-1-[oxidanyl(1-thiophen-3-ylpropyl)phosphoryl]but-2-enyl]pentanedioic acid

Systemtic Name: 2-[(E)-1-[oxidanyl(1-thiophen-3-ylpropyl)phosphoryl]but-2-enyl]pentanedioic acid Openeye Name: 2-[(E)-1-[hydroxy-[1-(3-thienyl)propyl]phosphoryl]but-2-enyl]pentanedioic acid CAS Name: 2-[(E)-1-[hydroxy-[1-(3-thiophenyl)propyl]phosphoryl]but-2-enyl]pentanedioic acid IUPAC Name: 2-[(E)-1-[hydroxy(1-thiophen-3-ylpropyl)phosphoryl]but-2-enyl]pentanedioic acid Traditional Name: 2-[(E)-1-[hydroxy-[1-(3-thienyl)propyl]phosphoryl]but-2-enyl]glutaric acid Formula: C16H23O6PS MolecularWeight: 374.388981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23O6PS/c1-3-5-14(12(16(19)20)6-7-15(17)18)23(21,22)13(4-2)11-8-9-24-10-11/h3,5,8-10,12-14H,4,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+