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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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