[5-(diethylamino)-8-(2,4-disulfophenyl)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [5-(diethylamino)-8-(2,4-disulfophenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [5-(diethylamino)-8-(2,4-disulfophenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [5-(diethylamino)-8-(2,4-disulfophenyl)-3-xanthenylidene]-diethylammonium IUPAC Name: [5-(diethylamino)-8-(2,4-disulfophenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [5-(diethylamino)-8-(2,4-disulfophenyl)xanthen-3-ylidene]-diethyl-ammonium Formula: C27H31N2O7S2+ MolecularWeight: 559.67424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(C=C1)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C=C4C=CC(=[N+](CC)CC)C=C4O2

Isomeric SMILES

CCN(CC)C1=C2C(=C(C=C1)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C=C4C=CC(=[N+](CC)CC)C=C4O2

InChI

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