1-phenylethylazanium; phthalate

Systemtic Name: 1-phenylethylazanium; phthalate Openeye Name: 1-phenylethylammonium; phthalate CAS Name: 1-phenylethylammonium; phthalate IUPAC Name: 1-phenylethylazanium; phthalate Traditional Name: 1-phenylethylammonium; phthalate Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH3+].CC(C1=CC=CC=C1)[NH3+].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)[NH3+].CC(C1=CC=CC=C1)[NH3+].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C8H11N.C8H6O4/c2*1-7(9)8-5-3-2-4-6-8;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*2-7H,9H2,1H3;1-4H,(H,9,10)(H,11,12)