[6-methyl-2,4,5-tris(oxidanyl)oxan-3-yl] 6-(1-hydroxyethyl)phenazine-1-carboxylate

Systemtic Name: [6-methyl-2,4,5-tris(oxidanyl)oxan-3-yl] 6-(1-hydroxyethyl)phenazine-1-carboxylate Openeye Name: (2,4,5-trihydroxy-6-methyl-tetrahydropyran-3-yl) 6-(1-hydroxyethyl)phenazine-1-carboxylate CAS Name: 6-(1-hydroxyethyl)-1-phenazinecarboxylic acid (2,4,5-trihydroxy-6-methyl-3-oxanyl) ester IUPAC Name: (2,4,5-trihydroxy-6-methyloxan-3-yl) 6-(1-hydroxyethyl)phenazine-1-carboxylate Traditional Name: 6-(1-hydroxyethyl)phenazine-1-carboxylic acid (2,4,5-trihydroxy-6-methyl-tetrahydropyran-3-yl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)O)OC(=O)C2=C3C(=CC=C2)N=C4C(=N3)C=CC=C4C(C)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)O)OC(=O)C2=C3C(=CC=C2)N=C4C(=N3)C=CC=C4C(C)O)O)O

InChI

InChI=1S/C21H22N2O7/c1-9(24)11-5-3-7-13-15(11)22-14-8-4-6-12(16(14)23-13)20(27)30-19-18(26)17(25)10(2)29-21(19)28/h3-10,17-19,21,24-26,28H,1-2H3