[6-(diethylamino)-9-(2,4-disulfophenyl)-9H-xanthen-3-yl]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-9H-xanthen-3-yl]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-9H-xanthen-3-yl]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-9H-xanthen-3-yl]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-9H-xanthen-3-yl]-diethylazanium Traditional Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-9H-xanthen-3-yl]-diethyl-ammonium Formula: C27H33N2O7S2+ MolecularWeight: 561.69012

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC[NH+](CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H32N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17,27H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35)/p+1