butyl prop-2-enoate; (E)-2-methyl-4-oxidanyl-pent-2-enoate

Systemtic Name: butyl prop-2-enoate; (E)-2-methyl-4-oxidanyl-pent-2-enoate Openeye Name: butyl prop-2-enoate; (E)-4-hydroxy-2-methyl-pent-2-enoate CAS Name: (E)-4-hydroxy-2-methyl-2-pentenoate; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; (E)-4-hydroxy-2-methylpent-2-enoate Traditional Name: acrylic acid butyl ester; (E)-4-hydroxy-2-methyl-pent-2-enoate Formula: C13H21O5- MolecularWeight: 257.30284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC(C=C(C)C(=O)[O-])O

Isomeric SMILES

CCCCOC(=O)C=C.CC(/C=C(\C)/C(=O)[O-])O

InChI

InChI=1S/C7H12O2.C6H10O3/c1-3-5-6-9-7(8)4-2;1-4(6(8)9)3-5(2)7/h4H,2-3,5-6H2,1H3;3,5,7H,1-2H3,(H,8,9)/p-1/b;4-3+