[6-(diethylamino)-9-(2-methyl-4-sulfo-phenyl)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(2-methyl-4-sulfo-phenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(2-methyl-4-sulfo-phenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-(2-methyl-4-sulfophenyl)-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(2-methyl-4-sulfophenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-(2-methyl-4-sulfo-phenyl)xanthen-3-ylidene]-diethyl-ammonium Formula: C28H33N2O4S+ MolecularWeight: 493.63762

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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=C(C=C(C=C4)S(=O)(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4S/c1-6-29(7-2)20-10-13-24-26(17-20)34-27-18-21(30(8-3)9-4)11-14-25(27)28(24)23-15-12-22(16-19(23)5)35(31,32)33/h10-18H,6-9H2,1-5H3/p+1