2-[4-(carboxymethyl)-2-oxidanyl-6-propan-2-yl-phenoxy]carbonyl-3-oxidanyl-pentanedioic acid

Systemtic Name: 2-[4-(carboxymethyl)-2-oxidanyl-6-propan-2-yl-phenoxy]carbonyl-3-oxidanyl-pentanedioic acid Openeye Name: 2-[4-(carboxymethyl)-2-hydroxy-6-isopropyl-phenoxy]carbonyl-3-hydroxy-pentanedioic acid CAS Name: 2-[[4-(carboxymethyl)-2-hydroxy-6-propan-2-ylphenoxy]-oxomethyl]-3-hydroxypentanedioic acid IUPAC Name: 2-[4-(carboxymethyl)-2-hydroxy-6-propan-2-ylphenoxy]carbonyl-3-hydroxypentanedioic acid Traditional Name: 2-[4-(carboxymethyl)-2-hydroxy-6-isopropyl-phenoxy]carbonyl-3-hydroxy-glutaric acid Formula: C17H20O10 MolecularWeight: 384.3347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)CC(=O)O)O)OC(=O)C(C(CC(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)CC(=O)O)O)OC(=O)C(C(CC(=O)O)O)C(=O)O

InChI

InChI=1S/C17H20O10/c1-7(2)9-3-8(5-12(20)21)4-11(19)15(9)27-17(26)14(16(24)25)10(18)6-13(22)23/h3-4,7,10,14,18-19H,5-6H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)