(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; 2-oxidanylpropane-1,2,3-tricarboxylic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal

Systemtic Name: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; 2-oxidanylpropane-1,2,3-tricarboxylic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal Openeye Name: citric acid; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal CAS Name: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; 2-hydroxypropane-1,2,3-tricarboxylic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal IUPAC Name: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; 2-hydroxypropane-1,2,3-tricarboxylic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal Traditional Name: citric acid; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal Formula: C18H34O19 MolecularWeight: 554.45116

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(CO)O)O)O)O)O.C(C(C(C(C(C=O)O)O)O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C6H8O7.C6H14O6.C6H12O6/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*7-1-3(9)5(11)6(12)4(10)2-8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-12H,1-2H2;1,3-6,8-12H,2H2/t;3-,4+,5-,6-;3-,4+,5+,6+/m.10/s1