(2E)-4,5,6-tricarboxyoxy-3-ethyl-2-(phenylmethylidene)octanoic acid

Systemtic Name: (2E)-4,5,6-tricarboxyoxy-3-ethyl-2-(phenylmethylidene)octanoic acid Openeye Name: (2E)-2-benzylidene-4,5,6-tricarboxyoxy-3-ethyl-octanoic acid CAS Name: (2E)-4,5,6-tricarboxyoxy-3-ethyl-2-(phenylmethylene)octanoic acid IUPAC Name: (2E)-2-benzylidene-4,5,6-tricarboxyoxy-3-ethyloctanoic acid Traditional Name: (E)-3-phenyl-2-(2,3,4-tricarboxyoxy-1-ethyl-hexyl)acrylic acid Formula: C20H24O11 MolecularWeight: 440.39796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O)C(=CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCC(C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O)/C(=C\C1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C20H24O11/c1-3-12(13(17(21)22)10-11-8-6-5-7-9-11)15(30-19(25)26)16(31-20(27)28)14(4-2)29-18(23)24/h5-10,12,14-16H,3-4H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)/b13-10+