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

Systemtic Name: [6-(diethylamino)-9-(2-sulfophenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(2-sulfophenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-(2-sulfophenyl)-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(2-sulfophenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-(2-sulfophenyl)xanthen-3-ylidene]-diethyl-ammonium Formula: C27H31N2O4S+ MolecularWeight: 479.61104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S/c1-5-28(6-2)19-13-15-21-24(17-19)33-25-18-20(29(7-3)8-4)14-16-22(25)27(21)23-11-9-10-12-26(23)34(30,31)32/h9-18H,5-8H2,1-4H3/p+1