butyl (E)-2-methylidene-4-phenyl-but-3-enoate; 2-methylidene-5-oxidanylidene-3-(2-oxidanylidenepropyl)hexanoic acid

Systemtic Name: butyl (E)-2-methylidene-4-phenyl-but-3-enoate; 2-methylidene-5-oxidanylidene-3-(2-oxidanylidenepropyl)hexanoic acid Openeye Name: 3-acetonyl-2-methylene-5-oxo-hexanoic acid; butyl (E)-2-methylene-4-phenyl-but-3-enoate CAS Name: 2-methylene-5-oxo-3-(2-oxopropyl)hexanoic acid; (E)-2-methylene-4-phenyl-3-butenoic acid butyl ester IUPAC Name: butyl (E)-2-methylidene-4-phenylbut-3-enoate; 2-methylidene-5-oxo-3-(2-oxopropyl)hexanoic acid Traditional Name: 2-(1-acetonyl-3-keto-butyl)acrylic acid; (E)-2-methylene-4-phenyl-but-3-enoic acid butyl ester Formula: C25H32O6 MolecularWeight: 428.51798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O2.C10H14O4/c1-3-4-12-17-15(16)13(2)10-11-14-8-6-5-7-9-14;1-6(11)4-9(5-7(2)12)8(3)10(13)14/h5-11H,2-4,12H2,1H3;9H,3-5H2,1-2H3,(H,13,14)/b11-10+;