[1,9-dimethyl-2-[2-methyl-4,6-bis(oxidanyl)phenyl]-7-oxidanylidene-phenoxazin-10-ium-3-yl] ethanoate

Systemtic Name: [1,9-dimethyl-2-[2-methyl-4,6-bis(oxidanyl)phenyl]-7-oxidanylidene-phenoxazin-10-ium-3-yl] ethanoate Openeye Name: [2-(2,4-dihydroxy-6-methyl-phenyl)-1,9-dimethyl-7-oxo-phenoxazin-10-ium-3-yl] acetate CAS Name: acetic acid [2-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-7-oxo-3-phenoxazin-10-iumyl] ester IUPAC Name: [2-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-7-oxophenoxazin-10-ium-3-yl] acetate Traditional Name: acetic acid [2-(2,4-dihydroxy-6-methyl-phenyl)-7-keto-1,9-dimethyl-phenoxazin-10-ium-3-yl] ester Formula: C23H20NO6+ MolecularWeight: 406.408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C(C=C3C(=C2C)[NH+]=C4C(=CC(=O)C=C4O3)C)OC(=O)C)O)O

Isomeric SMILES

CC1=CC(=CC(=C1C2=C(C=C3C(=C2C)[NH+]=C4C(=CC(=O)C=C4O3)C)OC(=O)C)O)O

InChI

InChI=1S/C23H19NO6/c1-10-5-14(26)7-16(28)20(10)21-12(3)23-19(9-17(21)29-13(4)25)30-18-8-15(27)6-11(2)22(18)24-23/h5-9,26,28H,1-4H3/p+1