[6-(diethylamino)-9-(2,6-disulfophenyl)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(2,6-disulfophenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(2,6-disulfophenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-(2,6-disulfophenyl)-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(2,6-disulfophenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-(2,6-disulfophenyl)xanthen-3-ylidene]-diethyl-ammonium Formula: C27H31N2O7S2+ MolecularWeight: 559.67424

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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=CC=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-12-14-20-22(16-18)36-23-17-19(29(7-3)8-4)13-15-21(23)26(20)27-24(37(30,31)32)10-9-11-25(27)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1