2,7-bis(5-cyclopropylpentyl)-3-methyl-6-propan-2-yl-oct-4-ynedioic acid

Systemtic Name: 2,7-bis(5-cyclopropylpentyl)-3-methyl-6-propan-2-yl-oct-4-ynedioic acid Openeye Name: 2,7-bis(5-cyclopropylpentyl)-3-isopropyl-6-methyl-oct-4-ynedioic acid CAS Name: 2,7-bis(5-cyclopropylpentyl)-3-methyl-6-propan-2-yl-4-octynedioic acid IUPAC Name: 2,7-bis(5-cyclopropylpentyl)-3-methyl-6-propan-2-yloct-4-ynedioic acid Traditional Name: 2,7-bis(5-cyclopropylpentyl)-3-isopropyl-6-methyl-oct-4-ynedioic acid Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4/c1-20(2)24(26(28(31)32)13-9-5-7-11-23-17-18-23)19-14-21(3)25(27(29)30)12-8-4-6-10-22-15-16-22/h20-26H,4-13,15-18H2,1-3H3,(H,29,30)(H,31,32)