6-[(2-carboxy-5-oxidanyl-5-oxidanylidene-pentyl)-oxidanyl-phosphoryl]hexane-1,3,5-tricarboxylic acid

Systemtic Name: 6-[(2-carboxy-5-oxidanyl-5-oxidanylidene-pentyl)-oxidanyl-phosphoryl]hexane-1,3,5-tricarboxylic acid Openeye Name: 6-[(2-carboxy-5-hydroxy-5-oxo-pentyl)-hydroxy-phosphoryl]hexane-1,3,5-tricarboxylic acid CAS Name: 6-[(2-carboxy-5-hydroxy-5-oxopentyl)-hydroxyphosphoryl]hexane-1,3,5-tricarboxylic acid IUPAC Name: 6-[(2-carboxy-5-hydroxy-5-oxopentyl)-hydroxyphosphoryl]hexane-1,3,5-tricarboxylic acid Traditional Name: 6-[(2-carboxy-5-hydroxy-5-keto-pentyl)-hydroxy-phosphoryl]hexane-1,3,5-tricarboxylic acid Formula: C15H23O12P MolecularWeight: 426.309681

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(CC(CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O

Isomeric SMILES

C(CC(=O)O)C(CC(CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C15H23O12P/c16-11(17)3-1-8(13(20)21)5-10(15(24)25)7-28(26,27)6-9(14(22)23)2-4-12(18)19/h8-10H,1-7H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)