butane; 2-ethylidenepropanedioate; 2-(3-methylbutyl)propanedioate

Systemtic Name: butane; 2-ethylidenepropanedioate; 2-(3-methylbutyl)propanedioate Openeye Name: butane; 2-ethylidenepropanedioate; 2-isopentylpropanedioate CAS Name: butane; 2-ethylidenepropanedioate; 2-(3-methylbutyl)propanedioate IUPAC Name: butane; 2-ethylidenepropanedioate; 2-(3-methylbutyl)propanedioate Traditional Name: 2-ethylidenemalonate; 2-isoamylmalonate; n-butane Formula: C21H36O8-4 MolecularWeight: 416.50574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O4.C5H6O4.2C4H10/c1-5(2)3-4-6(7(9)10)8(11)12;1-2-3(4(6)7)5(8)9;2*1-3-4-2/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);2H,1H3,(H,6,7)(H,8,9);2*3-4H2,1-2H3/p-4