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benzene-1,3-dicarboxylic acid; pentane-1,5-diamine

benzene-1,3-dicarboxylic acid; pentane-1,5-diamine

Systemtic Name:benzene-1,3-dicarboxylic acid; pentane-1,5-diamine
Openeye Name:isophthalic acid; pentane-1,5-diamine
CAS Name:benzene-1,3-dicarboxylic acid; pentane-1,5-diamine
IUPAC Name:benzene-1,3-dicarboxylic acid; pentane-1,5-diamine
Traditional Name:cadaverine; isophthalic acid
Formula: C13H20N2O4
MolecularWeight: 268.3089
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCN)CCN


Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCN)CCN


InChI

InChI=1S/C8H6O4.C5H14N2/c9-7(10)5-2-1-3-6(4-5)8(11)12;6-4-2-1-3-5-7/h1-4H,(H,9,10)(H,11,12);1-7H2


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