phthalate; quinolin-1-ium

Systemtic Name: phthalate; quinolin-1-ium Openeye Name: phthalate; quinolin-1-ium CAS Name: phthalate; quinolin-1-ium IUPAC Name: phthalate; quinolin-1-ium Traditional Name: phthalate; quinolin-1-ium Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C9H7N.C8H6O4/c2*1-2-6-9-8(4-1)5-3-7-10-9;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*1-7H;1-4H,(H,9,10)(H,11,12)