[(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; 2-methylidenebutanedioic acid

Systemtic Name: [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; 2-methylidenebutanedioic acid Openeye Name: 2-methylenebutanedioic acid; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene CAS Name: 2-methylenebutanedioic acid; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene IUPAC Name: [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; 2-methylidenebutanedioic acid Traditional Name: itaconic acid; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14.C5H6O4/c1-12(2)8-6-7-11-13-9-4-3-5-10-13;1-3(5(8)9)2-4(6)7/h3-11H,1H2,2H3;1-2H2,(H,6,7)(H,8,9)/b8-6+,11-7+;