benzenesulfonic acid; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: benzenesulfonic acid; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: benzenesulfonic acid; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: benzenesulfonic acid; [9-(2-carboxyphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: benzenesulfonic acid; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: besylic acid; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C34H37N2O6S+ MolecularWeight: 601.73238

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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=CC=CC=C4C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C28H30N2O3.C6H6O3S/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;7-10(8,9)6-4-2-1-3-5-6/h9-18H,5-8H2,1-4H3;1-5H,(H,7,8,9)/p+1