[9-(4-chloranylsulfonyl-2-sulfo-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(4-chloranylsulfonyl-2-sulfo-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(4-chlorosulfonyl-2-sulfo-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(4-chlorosulfonyl-2-sulfophenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(4-chlorosulfonyl-2-sulfophenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(4-chlorosulfonyl-2-sulfo-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C27H30ClN2O6S2+ MolecularWeight: 578.1199

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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=C(C=C4)S(=O)(=O)Cl)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(28,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3/p+1