3,7-dimethyl-8-oxidanyl-10-phenyl-phenazin-5-ium-2-one sulfate

Systemtic Name: 3,7-dimethyl-8-oxidanyl-10-phenyl-phenazin-5-ium-2-one sulfate Openeye Name: 8-hydroxy-3,7-dimethyl-10-phenyl-phenazin-5-ium-2-one sulfate CAS Name: 8-hydroxy-3,7-dimethyl-10-phenyl-2-phenazin-5-iumone sulfate IUPAC Name: 8-hydroxy-3,7-dimethyl-10-phenylphenazin-5-ium-2-one sulfate Traditional Name: 8-hydroxy-3,7-dimethyl-10-phenyl-phenazin-5-ium-2-one sulfate Formula: C40H34N4O8S MolecularWeight: 730.78496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1O)N(C3=CC(=O)C(=CC3=[NH+]2)C)C4=CC=CC=C4.CC1=CC2=C(C=C1O)N(C3=CC(=O)C(=CC3=[NH+]2)C)C4=CC=CC=C4.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1O)N(C3=CC(=O)C(=CC3=[NH+]2)C)C4=CC=CC=C4.CC1=CC2=C(C=C1O)N(C3=CC(=O)C(=CC3=[NH+]2)C)C4=CC=CC=C4.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C20H16N2O2.H2O4S/c2*1-12-8-15-17(10-19(12)23)22(14-6-4-3-5-7-14)18-11-20(24)13(2)9-16(18)21-15;1-5(2,3)4/h2*3-11,23H,1-2H3;(H2,1,2,3,4)