[6-(diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethyl-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethylxanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-ammonium Formula: C29H35N2O7S2+ MolecularWeight: 587.7274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C)C

Isomeric SMILES

CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C)C

InChI

InChI=1S/C29H34N2O7S2/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37)/p+1