(3S,4R,5R)-4,5-bis(oxidanyl)-3-(phosphonooxymethyl)cyclohexene-1-carboxylic acid

Systemtic Name: (3S,4R,5R)-4,5-bis(oxidanyl)-3-(phosphonooxymethyl)cyclohexene-1-carboxylic acid Openeye Name: (3S,4R,5R)-4,5-dihydroxy-3-(phosphonooxymethyl)cyclohexene-1-carboxylic acid CAS Name: (3S,4R,5R)-4,5-dihydroxy-3-(phosphonooxymethyl)-1-cyclohexenecarboxylic acid IUPAC Name: (3S,4R,5R)-4,5-dihydroxy-3-(phosphonooxymethyl)cyclohexene-1-carboxylic acid Traditional Name: (3S,4R,5R)-4,5-dihydroxy-3-(phosphonooxymethyl)cyclohexene-1-carboxylic acid Formula: C8H13O8P MolecularWeight: 268.157781

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)O)COP(=O)(O)O)O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)COP(=O)(O)O)O)O

InChI

InChI=1S/C8H13O8P/c9-6-2-4(8(11)12)1-5(7(6)10)3-16-17(13,14)15/h1,5-7,9-10H,2-3H2,(H,11,12)(H2,13,14,15)/t5-,6+,7+/m0/s1