2,6-dibutyl-4-oxidanylidene-2,3-dipropyl-heptanedioic acid

Systemtic Name: 2,6-dibutyl-4-oxidanylidene-2,3-dipropyl-heptanedioic acid Openeye Name: 2,6-dibutyl-4-oxo-2,3-dipropyl-heptanedioic acid CAS Name: 2,6-dibutyl-4-oxo-2,3-dipropylheptanedioic acid IUPAC Name: 2,6-dibutyl-4-oxo-2,3-dipropylheptanedioic acid Traditional Name: 2,6-dibutyl-4-keto-2,3-dipropyl-pimelic acid Formula: C21H38O5 MolecularWeight: 370.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)C(CCC)C(CCC)(CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC(=O)C(CCC)C(CCC)(CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C21H38O5/c1-5-9-12-16(19(23)24)15-18(22)17(11-7-3)21(13-8-4,20(25)26)14-10-6-2/h16-17H,5-15H2,1-4H3,(H,23,24)(H,25,26)