(E)-4-butoxy-4-oxidanylidene-but-2-enoic acid; butyl but-3-enoate

Systemtic Name: (E)-4-butoxy-4-oxidanylidene-but-2-enoic acid; butyl but-3-enoate Openeye Name: (E)-4-butoxy-4-oxo-but-2-enoic acid; butyl but-3-enoate CAS Name: 3-butenoic acid butyl ester; (E)-4-butoxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-butoxy-4-oxobut-2-enoic acid; butyl but-3-enoate Traditional Name: but-3-enoic acid butyl ester; (E)-4-butoxy-4-keto-but-2-enoic acid Formula: C16H26O6 MolecularWeight: 314.37404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O4.C8H14O2/c1-2-3-6-12-8(11)5-4-7(9)10;1-3-5-7-10-8(9)6-4-2/h4-5H,2-3,6H2,1H3,(H,9,10);4H,2-3,5-7H2,1H3/b5-4+;