3,4-dicarboxybenzoate; 6-phenoxyhexyl prop-2-enoate

Systemtic Name: 3,4-dicarboxybenzoate; 6-phenoxyhexyl prop-2-enoate Openeye Name: 3,4-dicarboxybenzoate; 6-phenoxyhexyl prop-2-enoate CAS Name: 3,4-dicarboxybenzoate; 2-propenoic acid 6-phenoxyhexyl ester IUPAC Name: 3,4-dicarboxybenzoate; 6-phenoxyhexyl prop-2-enoate Traditional Name: acrylic acid 6-phenoxyhexyl ester; 3,4-dicarboxybenzoate Formula: C24H25O9- MolecularWeight: 457.4499

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCCCCCOC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C=CC(=O)OCCCCCCOC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C15H20O3.C9H6O6/c1-2-15(16)18-13-9-4-3-8-12-17-14-10-6-5-7-11-14;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h2,5-7,10-11H,1,3-4,8-9,12-13H2;1-3H,(H,10,11)(H,12,13)(H,14,15)/p-1