4-[(E)-4-carboxy-5-methyl-3-oxidanylidene-hex-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-4-carboxy-5-methyl-3-oxidanylidene-hex-1-enyl]benzoic acid Openeye Name: 4-[(E)-4-carboxy-5-methyl-3-oxo-hex-1-enyl]benzoic acid CAS Name: 4-[(E)-4-carboxy-5-methyl-3-oxohex-1-enyl]benzoic acid IUPAC Name: 4-[(E)-4-carboxy-5-methyl-3-oxohex-1-enyl]benzoic acid Traditional Name: 4-[(E)-4-carboxy-3-keto-5-methyl-hex-1-enyl]benzoic acid Formula: C15H16O5 MolecularWeight: 276.28454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O5/c1-9(2)13(15(19)20)12(16)8-5-10-3-6-11(7-4-10)14(17)18/h3-9,13H,1-2H3,(H,17,18)(H,19,20)/b8-5+