hydrogen sulfate; 2,7,8-tris(oxidanyl)-10-(4-propan-2-ylphenyl)phenoxazin-10-ium-3-one

Systemtic Name: hydrogen sulfate; 2,7,8-tris(oxidanyl)-10-(4-propan-2-ylphenyl)phenoxazin-10-ium-3-one Openeye Name: hydrogen sulfate; 2,7,8-trihydroxy-10-(4-isopropylphenyl)phenoxazin-10-ium-3-one CAS Name: hydrogen sulfate; 2,7,8-trihydroxy-10-(4-propan-2-ylphenyl)-3-phenoxazin-10-iumone IUPAC Name: hydrogen sulfate; 2,7,8-trihydroxy-10-(4-propan-2-ylphenyl)phenoxazin-10-ium-3-one Traditional Name: 2,7,8-trihydroxy-10-p-cumenyl-phenoxazin-10-ium-3-one bisulfate Formula: C21H19NO9S MolecularWeight: 461.44186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+]2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O.OS(=O)(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+]2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C21H17NO5.H2O4S/c1-11(2)12-3-5-13(6-4-12)22-14-7-16(23)18(25)9-20(14)27-21-10-19(26)17(24)8-15(21)22;1-5(2,3)4/h3-11H,1-2H3,(H2,23,24,25,26);(H2,1,2,3,4)