(E)-2-methyl-3-(2-nonylphenoxy)pent-2-enoate

Systemtic Name: (E)-2-methyl-3-(2-nonylphenoxy)pent-2-enoate Openeye Name: (E)-2-methyl-3-(2-nonylphenoxy)pent-2-enoate CAS Name: (E)-2-methyl-3-(2-nonylphenoxy)-2-pentenoate IUPAC Name: (E)-2-methyl-3-(2-nonylphenoxy)pent-2-enoate Traditional Name: (E)-2-methyl-3-(2-nonylphenoxy)pent-2-enoate Formula: C21H31O3- MolecularWeight: 331.46904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=C(C)C(=O)[O-])CC

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1O/C(=C(\C)/C(=O)[O-])/CC

InChI

InChI=1S/C21H32O3/c1-4-6-7-8-9-10-11-14-18-15-12-13-16-20(18)24-19(5-2)17(3)21(22)23/h12-13,15-16H,4-11,14H2,1-3H3,(H,22,23)/p-1/b19-17+