ethyl-(3-methylbutyl)-(5-methyl-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-4-yl)-phenyl-azanium

Systemtic Name: ethyl-(3-methylbutyl)-(5-methyl-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-4-yl)-phenyl-azanium Openeye Name: ethyl-isopentyl-(5-methyl-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-4-yl)-phenyl-ammonium CAS Name: ethyl-(3-methylbutyl)-(5-methyl-1-oxo-4-spiro[isobenzofuran-3,9'-xanthene]yl)-phenylammonium IUPAC Name: ethyl-(3-methylbutyl)-(5-methyl-1-oxospiro[2-benzofuran-3,9'-xanthene]-4-yl)-phenylazanium Traditional Name: ethyl-isoamyl-(1-keto-5-methyl-spiro[phthalan-3,9'-xanthene]-4-yl)-phenyl-ammonium Formula: C34H34NO3+ MolecularWeight: 504.63866

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCC(C)C)(C1=CC=CC=C1)C2=C(C=CC3=C2C4(C5=CC=CC=C5OC6=CC=CC=C64)OC3=O)C

Isomeric SMILES

CC[N+](CCC(C)C)(C1=CC=CC=C1)C2=C(C=CC3=C2C4(C5=CC=CC=C5OC6=CC=CC=C64)OC3=O)C

InChI

InChI=1S/C34H34NO3/c1-5-35(22-21-23(2)3,25-13-7-6-8-14-25)32-24(4)19-20-26-31(32)34(38-33(26)36)27-15-9-11-17-29(27)37-30-18-12-10-16-28(30)34/h6-20,23H,5,21-22H2,1-4H3/q+1