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benzene-1,3-dicarboxylate; nonanedioate

benzene-1,3-dicarboxylate; nonanedioate

Systemtic Name:benzene-1,3-dicarboxylate; nonanedioate
Openeye Name:benzene-1,3-dicarboxylate; nonanedioate
CAS Name:benzene-1,3-dicarboxylate; nonanedioate
IUPAC Name:benzene-1,3-dicarboxylate; nonanedioate
Traditional Name:azelaate; isophthalate
Formula: C17H18O8-4
MolecularWeight: 350.32002
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C(CCCC(=O)[O-])CCCC(=O)[O-]


Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C(CCCC(=O)[O-])CCCC(=O)[O-]


InChI

InChI=1S/C9H16O4.C8H6O4/c10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-7H2,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12)/p-4


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