[6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethyl-ammonium Formula: C28H30N3OS+ MolecularWeight: 456.6223

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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=C(C=C4)N=C=S

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C28H30N3OS/c1-5-30(6-2)22-13-15-24-26(17-22)32-27-18-23(31(7-3)8-4)14-16-25(27)28(24)20-9-11-21(12-10-20)29-19-33/h9-18H,5-8H2,1-4H3/q+1