2,5-bis(4,4-dimethylpentan-2-yl)-3-(hydroxymethyl)hexanedioic acid

Systemtic Name: 2,5-bis(4,4-dimethylpentan-2-yl)-3-(hydroxymethyl)hexanedioic acid Openeye Name: 3-(hydroxymethyl)-2,5-bis(1,3,3-trimethylbutyl)hexanedioic acid CAS Name: 2,5-bis(4,4-dimethylpentan-2-yl)-3-(hydroxymethyl)hexanedioic acid IUPAC Name: 2,5-bis(4,4-dimethylpentan-2-yl)-3-(hydroxymethyl)hexanedioic acid Traditional Name: 3-methylol-2,5-bis(1,3,3-trimethylbutyl)adipic acid Formula: C21H40O5 MolecularWeight: 372.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C)C(CC(CO)C(C(C)CC(C)(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC(C)(C)C)C(CC(CO)C(C(C)CC(C)(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H40O5/c1-13(10-20(3,4)5)16(18(23)24)9-15(12-22)17(19(25)26)14(2)11-21(6,7)8/h13-17,22H,9-12H2,1-8H3,(H,23,24)(H,25,26)