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

Systemtic Name: (E)-4,6-dimethyl-2-(4,5,6-tricarboxyoxyoctan-3-yl)oct-2-enoic acid Openeye Name: (E)-4,6-dimethyl-2-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)oct-2-enoic acid CAS Name: (E)-4,6-dimethyl-2-(4,5,6-tricarboxyoxyoctan-3-yl)-2-octenoic acid IUPAC Name: (E)-4,6-dimethyl-2-(4,5,6-tricarboxyoxyoctan-3-yl)oct-2-enoic acid Traditional Name: (E)-4,6-dimethyl-2-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)oct-2-enoic acid Formula: C21H34O11 MolecularWeight: 462.48806

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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

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

InChI

InChI=1S/C21H34O11/c1-6-11(4)9-12(5)10-14(18(22)23)13(7-2)16(31-20(26)27)17(32-21(28)29)15(8-3)30-19(24)25/h10-13,15-17H,6-9H2,1-5H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/b14-10+