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hexanedioate; 3-methylpentane

hexanedioate; 3-methylpentane

Systemtic Name:hexanedioate; 3-methylpentane
Openeye Name:hexanedioate; 3-methylpentane
CAS Name:hexanedioate; 3-methylpentane
IUPAC Name:hexanedioate; 3-methylpentane
Traditional Name:adipate; 3-methylpentane
Formula: C12H22O4-2
MolecularWeight: 230.30068
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC.C(CCC(=O)[O-])CC(=O)[O-]


Isomeric SMILES

CCC(C)CC.C(CCC(=O)[O-])CC(=O)[O-]


InChI

InChI=1S/C6H10O4.C6H14/c7-5(8)3-1-2-4-6(9)10;1-4-6(3)5-2/h1-4H2,(H,7,8)(H,9,10);6H,4-5H2,1-3H3/p-2


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