butyl (E)-2-methylidene-4-phenyl-but-3-enoate; 2-methylidenebutanedioic acid

Systemtic Name: butyl (E)-2-methylidene-4-phenyl-but-3-enoate; 2-methylidenebutanedioic acid Openeye Name: butyl (E)-2-methylene-4-phenyl-but-3-enoate; 2-methylenebutanedioic acid CAS Name: 2-methylenebutanedioic acid; (E)-2-methylene-4-phenyl-3-butenoic acid butyl ester IUPAC Name: butyl (E)-2-methylidene-4-phenylbut-3-enoate; 2-methylidenebutanedioic acid Traditional Name: itaconic acid; (E)-2-methylene-4-phenyl-but-3-enoic acid butyl ester Formula: C20H24O6 MolecularWeight: 360.40096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O2.C5H6O4/c1-3-4-12-17-15(16)13(2)10-11-14-8-6-5-7-9-14;1-3(5(8)9)2-4(6)7/h5-11H,2-4,12H2,1H3;1-2H2,(H,6,7)(H,8,9)/b11-10+;