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benzene-1,3-dicarboxylate; methane

benzene-1,3-dicarboxylate; methane

Systemtic Name:benzene-1,3-dicarboxylate; methane
Openeye Name:benzene-1,3-dicarboxylate; methane
CAS Name:benzene-1,3-dicarboxylate; methane
IUPAC Name:benzene-1,3-dicarboxylate; methane
Traditional Name:isophthalate; methane
Formula: C9H8O4-2
MolecularWeight: 180.15742
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H6O4.CH4/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H4/p-2


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