hexanedioic acid; 2-methylbutane

Systemtic Name: hexanedioic acid; 2-methylbutane Openeye Name: adipic acid; 2-methylbutane CAS Name: hexanedioic acid; 2-methylbutane IUPAC Name: hexanedioic acid; 2-methylbutane Traditional Name: adipic acid; isopentane Formula: C11H22O4 MolecularWeight: 218.28998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCC(C)C.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C6H10O4.C5H12/c7-5(8)3-1-2-4-6(9)10;1-4-5(2)3/h1-4H2,(H,7,8)(H,9,10);5H,4H2,1-3H3