2-(4-methyl-3-oxidanylidene-pent-4-enyl)terephthalic acid

Systemtic Name: 2-(4-methyl-3-oxidanylidene-pent-4-enyl)terephthalic acid Openeye Name: 2-(4-methyl-3-oxo-pent-4-enyl)terephthalic acid CAS Name: 2-(4-methyl-3-oxopent-4-enyl)terephthalic acid IUPAC Name: 2-(4-methyl-3-oxopent-4-enyl)terephthalic acid Traditional Name: 2-(3-keto-4-methyl-pent-4-enyl)terephthalic acid Formula: C14H14O5 MolecularWeight: 262.25796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O5/c1-8(2)12(15)6-4-9-7-10(13(16)17)3-5-11(9)14(18)19/h3,5,7H,1,4,6H2,2H3,(H,16,17)(H,18,19)