2-[(E)-1-[butyl(oxidanyl)phosphoryl]but-2-enyl]pentanedioic acid

Systemtic Name: 2-[(E)-1-[butyl(oxidanyl)phosphoryl]but-2-enyl]pentanedioic acid Openeye Name: 2-[(E)-1-[butyl(hydroxy)phosphoryl]but-2-enyl]pentanedioic acid CAS Name: 2-[(E)-1-[butyl(hydroxy)phosphoryl]but-2-enyl]pentanedioic acid IUPAC Name: 2-[(E)-1-[butyl(hydroxy)phosphoryl]but-2-enyl]pentanedioic acid Traditional Name: 2-[(E)-1-[butyl(hydroxy)phosphoryl]but-2-enyl]glutaric acid Formula: C13H23O6P MolecularWeight: 306.291881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCP(=O)(C(C=CC)C(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CCCCP(=O)(C(/C=C/C)C(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C13H23O6P/c1-3-5-9-20(18,19)11(6-4-2)10(13(16)17)7-8-12(14)15/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/b6-4+