di(octan-4-yl)-(3-oxidanylidene-7-phenyl-1H-2-benzofuran-1-yl)-phenyl-azanium

Systemtic Name: di(octan-4-yl)-(3-oxidanylidene-7-phenyl-1H-2-benzofuran-1-yl)-phenyl-azanium Openeye Name: (3-oxo-7-phenyl-1H-isobenzofuran-1-yl)-phenyl-bis(1-propylpentyl)ammonium CAS Name: di(octan-4-yl)-(3-oxo-7-phenyl-1H-isobenzofuran-1-yl)-phenylammonium IUPAC Name: di(octan-4-yl)-(3-oxo-7-phenyl-1H-2-benzofuran-1-yl)-phenylazanium Traditional Name: (3-keto-7-phenyl-phthalan-1-yl)-phenyl-bis(1-propylpentyl)ammonium Formula: C36H48NO2+ MolecularWeight: 526.77182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)[N+](C1C2=C(C=CC=C2C(=O)O1)C3=CC=CC=C3)(C4=CC=CC=C4)C(CCC)CCCC

Isomeric SMILES

CCCCC(CCC)[N+](C1C2=C(C=CC=C2C(=O)O1)C3=CC=CC=C3)(C4=CC=CC=C4)C(CCC)CCCC

InChI

InChI=1S/C36H48NO2/c1-5-9-22-29(18-7-3)37(31-24-15-12-16-25-31,30(19-8-4)23-10-6-2)35-34-32(28-20-13-11-14-21-28)26-17-27-33(34)36(38)39-35/h11-17,20-21,24-27,29-30,35H,5-10,18-19,22-23H2,1-4H3/q+1