phthalate; tributylazanium

Systemtic Name: phthalate; tributylazanium Openeye Name: phthalate; tributylammonium CAS Name: phthalate; tributylammonium IUPAC Name: phthalate; tributylazanium Traditional Name: phthalate; tributylammonium Formula: C32H60N2O4 MolecularWeight: 536.8298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H27N.C8H6O4/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*4-12H2,1-3H3;1-4H,(H,9,10)(H,11,12)