(E)-2-methylbut-2-enoate; (Z)-2-methylundec-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate

Systemtic Name: (E)-2-methylbut-2-enoate; (Z)-2-methylundec-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate Openeye Name: (E)-2-methylbut-2-enoate; (Z)-2-methylundec-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate CAS Name: (E)-2-methyl-2-butenoate; (Z)-2-methyl-2-undecenoate; (Z)-2,4,4-trimethyl-2-pentenoate IUPAC Name: (E)-2-methylbut-2-enoate; (Z)-2-methylundec-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate Traditional Name: (E)-2-methylbut-2-enoate; (Z)-2-methylundec-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate Formula: C25H41O6-3 MolecularWeight: 437.58944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C(/C)\C(=O)[O-].C/C=C(\C)/C(=O)[O-].C/C(=C/C(C)(C)C)/C(=O)[O-]

InChI

InChI=1S/C12H22O2.C8H14O2.C5H8O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14;1-6(7(9)10)5-8(2,3)4;1-3-4(2)5(6)7/h10H,3-9H2,1-2H3,(H,13,14);5H,1-4H3,(H,9,10);3H,1-2H3,(H,6,7)/p-3/b11-10-;6-5-;4-3+