2,7-bis(5-cyclopropylpentyl)-3,6-dimethyl-oct-4-ynedioic acid

Systemtic Name: 2,7-bis(5-cyclopropylpentyl)-3,6-dimethyl-oct-4-ynedioic acid Openeye Name: 2,7-bis(5-cyclopropylpentyl)-3,6-dimethyl-oct-4-ynedioic acid CAS Name: 2,7-bis(5-cyclopropylpentyl)-3,6-dimethyl-4-octynedioic acid IUPAC Name: 2,7-bis(5-cyclopropylpentyl)-3,6-dimethyloct-4-ynedioic acid Traditional Name: 2,7-bis(5-cyclopropylpentyl)-3,6-dimethyl-oct-4-ynedioic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(C)C(CCCCCC1CC1)C(=O)O)C(CCCCCC2CC2)C(=O)O

Isomeric SMILES

CC(C#CC(C)C(CCCCCC1CC1)C(=O)O)C(CCCCCC2CC2)C(=O)O

InChI

InChI=1S/C26H42O4/c1-19(23(25(27)28)11-7-3-5-9-21-15-16-21)13-14-20(2)24(26(29)30)12-8-4-6-10-22-17-18-22/h19-24H,3-12,15-18H2,1-2H3,(H,27,28)(H,29,30)