2-[(E)-4-(2,4,6-trimethylphenyl)but-3-en-2-ylidene]propanedioic acid

Systemtic Name: 2-[(E)-4-(2,4,6-trimethylphenyl)but-3-en-2-ylidene]propanedioic acid Openeye Name: 2-[(E)-1-methyl-3-(2,4,6-trimethylphenyl)prop-2-enylidene]propanedioic acid CAS Name: 2-[(E)-4-(2,4,6-trimethylphenyl)but-3-en-2-ylidene]propanedioic acid IUPAC Name: 2-[(E)-4-(2,4,6-trimethylphenyl)but-3-en-2-ylidene]propanedioic acid Traditional Name: 2-[(E)-3-mesityl-1-methyl-prop-2-enylidene]malonic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4/c1-9-7-11(3)13(12(4)8-9)6-5-10(2)14(15(17)18)16(19)20/h5-8H,1-4H3,(H,17,18)(H,19,20)/b6-5+