butane; 2-dodecylpropanedioate; 2-pentylpropanedioate

Systemtic Name: butane; 2-dodecylpropanedioate; 2-pentylpropanedioate Openeye Name: butane; 2-dodecylpropanedioate; 2-pentylpropanedioate CAS Name: butane; 2-dodecylpropanedioate; 2-pentylpropanedioate IUPAC Name: butane; 2-dodecylpropanedioate; 2-pentylpropanedioate Traditional Name: 2-amylmalonate; 2-laurylmalonate; n-butane Formula: C31H58O8-4 MolecularWeight: 558.78742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCC.CCCCCCCCCCCCC(C(=O)[O-])C(=O)[O-].CCCCCC(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC.CCCC.CCCCCCCCCCCCC(C(=O)[O-])C(=O)[O-].CCCCCC(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H28O4.C8H14O4.2C4H10/c1-2-3-4-5-6-7-8-9-10-11-12-13(14(16)17)15(18)19;1-2-3-4-5-6(7(9)10)8(11)12;2*1-3-4-2/h13H,2-12H2,1H3,(H,16,17)(H,18,19);6H,2-5H2,1H3,(H,9,10)(H,11,12);2*3-4H2,1-2H3/p-4