butane; diethyl 2,2-diheptylpropanedioate

Systemtic Name: butane; diethyl 2,2-diheptylpropanedioate Openeye Name: butane; diethyl 2,2-diheptylpropanedioate CAS Name: butane; 2,2-diheptylpropanedioic acid diethyl ester IUPAC Name: butane; diethyl 2,2-diheptylpropanedioate Traditional Name: 2,2-diheptylmalonic acid diethyl ester; n-butane Formula: C25H50O4 MolecularWeight: 414.6621

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCCCCCC(CCCCCCC)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC.CCCCCCCC(CCCCCCC)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H40O4.C4H10/c1-5-9-11-13-15-17-21(19(22)24-7-3,20(23)25-8-4)18-16-14-12-10-6-2;1-3-4-2/h5-18H2,1-4H3;3-4H2,1-2H3