phthalate; tripropylazanium

Systemtic Name: phthalate; tripropylazanium Openeye Name: phthalate; tripropylammonium CAS Name: phthalate; tripropylammonium IUPAC Name: phthalate; tripropylazanium Traditional Name: phthalate; tripropylammonium Formula: C26H48N2O4 MolecularWeight: 452.67032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H21N.C8H6O4/c2*1-4-7-10(8-5-2)9-6-3;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*4-9H2,1-3H3;1-4H,(H,9,10)(H,11,12)