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methyl hydrogen sulfate; phenazine-2-carboxylic acid

methyl hydrogen sulfate; phenazine-2-carboxylic acid

Systemtic Name:methyl hydrogen sulfate; phenazine-2-carboxylic acid
Openeye Name:methyl hydrogen sulfate; phenazine-2-carboxylic acid
CAS Name:2-phenazinecarboxylic acid; sulfuric acid methyl ester
IUPAC Name:methyl hydrogen sulfate; phenazine-2-carboxylic acid
Traditional Name:phenazine-2-carboxylic acid; sulfuric acid methyl ester
Formula: C14H12N2O6S
MolecularWeight: 336.31988
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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)O.C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)C(=O)O


Isomeric SMILES

COS(=O)(=O)O.C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)C(=O)O


InChI

InChI=1S/C13H8N2O2.CH4O4S/c16-13(17)8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11;1-5-6(2,3)4/h1-7H,(H,16,17);1H3,(H,2,3,4)


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