3,6-bis[(E)-but-2-enyl]-4-(3,4-dicarboxyphenyl)carbonyl-phthalic acid

Systemtic Name: 3,6-bis[(E)-but-2-enyl]-4-(3,4-dicarboxyphenyl)carbonyl-phthalic acid Openeye Name: 3,6-bis[(E)-but-2-enyl]-4-(3,4-dicarboxybenzoyl)phthalic acid CAS Name: 3,6-bis[(E)-but-2-enyl]-4-[(3,4-dicarboxyphenyl)-oxomethyl]phthalic acid IUPAC Name: 3,6-bis[(E)-but-2-enyl]-4-(3,4-dicarboxybenzoyl)phthalic acid Traditional Name: 3,6-bis[(E)-but-2-enyl]-4-(3,4-dicarboxybenzoyl)phthalic acid Formula: C25H22O9 MolecularWeight: 466.43678

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1=C(C(=C(C(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)CC=CC)C(=O)O)C(=O)O

Isomeric SMILES

C/C=C/CC1=C(C(=C(C(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C/C=C/C)C(=O)O)C(=O)O

InChI

InChI=1S/C25H22O9/c1-3-5-7-13-11-17(15(8-6-4-2)20(25(33)34)19(13)24(31)32)21(26)14-9-10-16(22(27)28)18(12-14)23(29)30/h3-6,9-12H,7-8H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)/b5-3+,6-4+