3,6-bis[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzene-1,2,4,5-tetracarboxylic acid

Systemtic Name: 3,6-bis[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzene-1,2,4,5-tetracarboxylic acid Openeye Name: 3,6-bis[(E)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]benzene-1,2,4,5-tetracarboxylic acid CAS Name: 3,6-bis[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]benzene-1,2,4,5-tetracarboxylic acid IUPAC Name: 3,6-bis[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]benzene-1,2,4,5-tetracarboxylic acid Traditional Name: 3,6-bis[(E)-3-hydroxy-3-keto-2-methyl-prop-1-enyl]pyromellitic acid Formula: C18H14O12 MolecularWeight: 422.29656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C(=C(C(=C1C(=O)O)C(=O)O)C=C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H14O12/c1-5(13(19)20)3-7-9(15(23)24)11(17(27)28)8(4-6(2)14(21)22)12(18(29)30)10(7)16(25)26/h3-4H,1-2H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/b5-3+,6-4+