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benzene-1,3-dicarboxylate; hexane; hexanedioate

benzene-1,3-dicarboxylate; hexane; hexanedioate

Systemtic Name:benzene-1,3-dicarboxylate; hexane; hexanedioate
Openeye Name:benzene-1,3-dicarboxylate; hexane; hexanedioate
CAS Name:benzene-1,3-dicarboxylate; hexane; hexanedioate
IUPAC Name:benzene-1,3-dicarboxylate; hexane; hexanedioate
Traditional Name:adipate; isophthalate; n-hexane
Formula: C20H26O8-4
MolecularWeight: 394.41564
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-]


Isomeric SMILES

CCCCCC.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-]


InChI

InChI=1S/C8H6O4.C6H10O4.C6H14/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;1-3-5-6-4-2/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);3-6H2,1-2H3/p-4


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