2-[3-[azanyl(methyl)amino]-6-dimethylazaniumylidene-xanthen-9-yl]benzenesulfonate

Systemtic Name: 2-[3-[azanyl(methyl)amino]-6-dimethylazaniumylidene-xanthen-9-yl]benzenesulfonate Openeye Name: 2-[3-[amino(methyl)amino]-6-dimethyliminio-xanthen-9-yl]benzenesulfonate CAS Name: 2-[3-[amino(methyl)amino]-6-dimethyliminio-9-xanthenyl]benzenesulfonate IUPAC Name: 2-[3-[amino(methyl)amino]-6-dimethylazaniumylidenexanthen-9-yl]benzenesulfonate Traditional Name: 2-[3-[amino(methyl)amino]-6-dimethyliminio-xanthen-9-yl]besylate Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-24(2)14-8-10-16-19(12-14)29-20-13-15(25(3)23)9-11-17(20)22(16)18-6-4-5-7-21(18)30(26,27)28/h4-13H,23H2,1-3H3