(E)-4,6-dimethyl-4-oxidanyl-2-(4,5,6-tricarboxyoxyoctan-3-yl)oct-2-enoic acid

Systemtic Name: (E)-4,6-dimethyl-4-oxidanyl-2-(4,5,6-tricarboxyoxyoctan-3-yl)oct-2-enoic acid Openeye Name: (E)-4-hydroxy-4,6-dimethyl-2-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)oct-2-enoic acid CAS Name: (E)-4-hydroxy-4,6-dimethyl-2-(4,5,6-tricarboxyoxyoctan-3-yl)-2-octenoic acid IUPAC Name: (E)-4-hydroxy-4,6-dimethyl-2-(4,5,6-tricarboxyoxyoctan-3-yl)oct-2-enoic acid Traditional Name: (E)-4-hydroxy-4,6-dimethyl-2-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)oct-2-enoic acid Formula: C21H34O12 MolecularWeight: 478.48746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)(C=C(C(CC)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O)C(=O)O)O

Isomeric SMILES

CCC(C)CC(C)(/C=C(\C(CC)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O)/C(=O)O)O

InChI

InChI=1S/C21H34O12/c1-6-11(4)9-21(5,30)10-13(17(22)23)12(7-2)15(32-19(26)27)16(33-20(28)29)14(8-3)31-18(24)25/h10-12,14-16,30H,6-9H2,1-5H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/b13-10+