[6-(diethylamino)-9-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxycarbonylphenyl]xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxycarbonylphenyl]xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-[2-(4-methyl-2-oxo-chromen-7-yl)oxycarbonylphenyl]xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy-oxomethyl]phenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-[2-(4-methyl-2-oxochromen-7-yl)oxycarbonylphenyl]xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-[2-(2-keto-4-methyl-chromen-7-yl)oxycarbonylphenyl]xanthen-3-ylidene]-diethyl-ammonium Formula: C38H37N2O5+ MolecularWeight: 601.71078

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC5=CC6=C(C=C5)C(=CC(=O)O6)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC5=CC6=C(C=C5)C(=CC(=O)O6)C

InChI

InChI=1S/C38H37N2O5/c1-6-39(7-2)25-14-17-31-33(21-25)44-34-22-26(40(8-3)9-4)15-18-32(34)37(31)29-12-10-11-13-30(29)38(42)43-27-16-19-28-24(5)20-36(41)45-35(28)23-27/h10-23H,6-9H2,1-5H3/q+1