2-methylidenebutanoate; 2-methylidenehexanoic acid; 2-methylidenepentanoic acid

Systemtic Name: 2-methylidenebutanoate; 2-methylidenehexanoic acid; 2-methylidenepentanoic acid Openeye Name: 2-methylenebutanoate; 2-methylenehexanoic acid; 2-methylenepentanoic acid CAS Name: 2-methylenebutanoate; 2-methylenehexanoic acid; 2-methylenepentanoic acid IUPAC Name: 2-methylidenebutanoate; 2-methylidenehexanoic acid; 2-methylidenepentanoic acid Traditional Name: 2-butylacrylic acid; 2-ethylacrylate; 2-propylacrylic acid Formula: C18H29O6- MolecularWeight: 341.41926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)O.CCCC(=C)C(=O)O.CCC(=C)C(=O)[O-]

Isomeric SMILES

CCCCC(=C)C(=O)O.CCCC(=C)C(=O)O.CCC(=C)C(=O)[O-]

InChI

InChI=1S/C7H12O2.C6H10O2.C5H8O2/c1-3-4-5-6(2)7(8)9;1-3-4-5(2)6(7)8;1-3-4(2)5(6)7/h2-5H2,1H3,(H,8,9);2-4H2,1H3,(H,7,8);2-3H2,1H3,(H,6,7)/p-1