3,5,6-tris[(E)-hex-1-enyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tris[(E)-hex-1-enyl]benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris[(E)-hex-1-enyl]benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris[(E)-hex-1-enyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris[(E)-hex-1-enyl]benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris[(E)-hex-1-enyl]trimellitic acid Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1=C(C(=C(C(=C1C(=O)O)C=CCCCC)C(=O)O)C(=O)O)C=CCCCC

Isomeric SMILES

CCCC/C=C/C1=C(C(=C(C(=C1C(=O)O)/C=C/CCCC)C(=O)O)C(=O)O)/C=C/CCCC

InChI

InChI=1S/C27H36O6/c1-4-7-10-13-16-19-20(17-14-11-8-5-2)23(26(30)31)24(27(32)33)21(22(19)25(28)29)18-15-12-9-6-3/h13-18H,4-12H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)/b16-13+,17-14+,18-15+