dibutyl (Z)-but-2-enedioate; (E)-2,5-dimethylhex-2-enoate

Systemtic Name: dibutyl (Z)-but-2-enedioate; (E)-2,5-dimethylhex-2-enoate Openeye Name: dibutyl (Z)-but-2-enedioate; (E)-2,5-dimethylhex-2-enoate CAS Name: (Z)-2-butenedioic acid dibutyl ester; (E)-2,5-dimethyl-2-hexenoate IUPAC Name: dibutyl (Z)-but-2-enedioate; (E)-2,5-dimethylhex-2-enoate Traditional Name: (Z)-but-2-enedioic acid dibutyl ester; (E)-2,5-dimethylhex-2-enoate Formula: C20H33O6- MolecularWeight: 369.47242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4.C8H14O2/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-6(2)4-5-7(3)8(9)10/h7-8H,3-6,9-10H2,1-2H3;5-6H,4H2,1-3H3,(H,9,10)/p-1/b8-7-;7-5+