2-[(E)-1-[methyl(oxidanyl)phosphoryl]but-2-enyl]heptanedioic acid

Systemtic Name: 2-[(E)-1-[methyl(oxidanyl)phosphoryl]but-2-enyl]heptanedioic acid Openeye Name: 2-[(E)-1-[hydroxy(methyl)phosphoryl]but-2-enyl]heptanedioic acid CAS Name: 2-[(E)-1-[hydroxy(methyl)phosphoryl]but-2-enyl]heptanedioic acid IUPAC Name: 2-[(E)-1-[hydroxy(methyl)phosphoryl]but-2-enyl]heptanedioic acid Traditional Name: 2-[(E)-1-[hydroxy(methyl)phosphoryl]but-2-enyl]pimelic acid Formula: C12H21O6P MolecularWeight: 292.265301

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(CCCCC(=O)O)C(=O)O)P(=O)(C)O

Isomeric SMILES

C/C=C/C(C(CCCCC(=O)O)C(=O)O)P(=O)(C)O

InChI

InChI=1S/C12H21O6P/c1-3-6-10(19(2,17)18)9(12(15)16)7-4-5-8-11(13)14/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/b6-3+