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phthalate; piperazin-1-ium

phthalate; piperazin-1-ium

Systemtic Name:phthalate; piperazin-1-ium
Openeye Name:phthalate; piperazin-1-ium
CAS Name:phthalate; piperazin-1-ium
IUPAC Name:phthalate; piperazin-1-ium
Traditional Name:phthalate; piperazin-1-ium
Formula: C16H26N4O4
MolecularWeight: 338.40204
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH2+]1.C1CNCC[NH2+]1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]


Isomeric SMILES

C1CNCC[NH2+]1.C1CNCC[NH2+]1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C8H6O4.2C4H10N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-2-6-4-3-5-1/h1-4H,(H,9,10)(H,11,12);2*5-6H,1-4H2


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