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

Systemtic Name: ethyl (E)-2-methylidene-4-phenyl-but-3-enoate; 2-methylidenebutanedioic acid Openeye Name: ethyl (E)-2-methylene-4-phenyl-but-3-enoate; 2-methylenebutanedioic acid CAS Name: 2-methylenebutanedioic acid; (E)-2-methylene-4-phenyl-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-methylidene-4-phenylbut-3-enoate; 2-methylidenebutanedioic acid Traditional Name: itaconic acid; (E)-2-methylene-4-phenyl-but-3-enoic acid ethyl ester Formula: C18H20O6 MolecularWeight: 332.3478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2.C5H6O4/c1-3-15-13(14)11(2)9-10-12-7-5-4-6-8-12;1-3(5(8)9)2-4(6)7/h4-10H,2-3H2,1H3;1-2H2,(H,6,7)(H,8,9)/b10-9+;