2-[(6E)-3-(pyridin-2-ylamino)-6-pyridin-2-ylazaniumylidene-xanthen-9-yl]benzenesulfonate

Systemtic Name: 2-[(6E)-3-(pyridin-2-ylamino)-6-pyridin-2-ylazaniumylidene-xanthen-9-yl]benzenesulfonate Openeye Name: 2-[(6E)-3-(2-pyridylamino)-6-(2-pyridyliminio)xanthen-9-yl]benzenesulfonate CAS Name: 2-[(6E)-3-(2-pyridinylamino)-6-(2-pyridinyliminio)-9-xanthenyl]benzenesulfonate IUPAC Name: 2-[(6E)-3-(pyridin-2-ylamino)-6-pyridin-2-ylazaniumylidenexanthen-9-yl]benzenesulfonate Traditional Name: 2-[(6E)-3-(2-pyridylamino)-6-(2-pyridyliminio)xanthen-9-yl]besylate Formula: C29H20N4O4S MolecularWeight: 520.5585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=[NH+]C4=CC=CC=N4)C=C3OC5=C2C=CC(=C5)NC6=CC=CC=N6)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C/C(=[NH+]\C4=CC=CC=N4)/C=C3OC5=C2C=CC(=C5)NC6=CC=CC=N6)S(=O)(=O)[O-]

InChI

InChI=1S/C29H20N4O4S/c34-38(35,36)26-8-2-1-7-23(26)29-21-13-11-19(32-27-9-3-5-15-30-27)17-24(21)37-25-18-20(12-14-22(25)29)33-28-10-4-6-16-31-28/h1-18H,(H,30,32)(H,34,35,36)/b33-20+