2-(2-methanoyl-5-methoxy-phenyl)ethanoic acid; methyl hydrogen sulfate

Systemtic Name: 2-(2-methanoyl-5-methoxy-phenyl)ethanoic acid; methyl hydrogen sulfate Openeye Name: 2-(2-formyl-5-methoxy-phenyl)acetic acid; methyl hydrogen sulfate CAS Name: 2-(2-formyl-5-methoxyphenyl)acetic acid; sulfuric acid methyl ester IUPAC Name: 2-(2-formyl-5-methoxyphenyl)acetic acid; methyl hydrogen sulfate Traditional Name: 2-(2-formyl-5-methoxy-phenyl)acetic acid; sulfuric acid methyl ester Formula: C11H14O8S MolecularWeight: 306.28906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=O)CC(=O)O.COS(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C=O)CC(=O)O.COS(=O)(=O)O

InChI

InChI=1S/C10H10O4.CH4O4S/c1-14-9-3-2-7(6-11)8(4-9)5-10(12)13;1-5-6(2,3)4/h2-4,6H,5H2,1H3,(H,12,13);1H3,(H,2,3,4)