methyl 2-[2-methanoyl-3,6-bis(oxidanyl)phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-methanoyl-3,6-bis(oxidanyl)phenyl]sulfanylethanoate Openeye Name: methyl 2-(2-formyl-3,6-dihydroxy-phenyl)sulfanylacetate CAS Name: 2-[(2-formyl-3,6-dihydroxyphenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-formyl-3,6-dihydroxyphenyl)sulfanylacetate Traditional Name: 2-[(2-formyl-3,6-dihydroxy-phenyl)thio]acetic acid methyl ester Formula: C10H10O5S MolecularWeight: 242.2484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC(=C1C=O)O)O

Isomeric SMILES

COC(=O)CSC1=C(C=CC(=C1C=O)O)O

InChI

InChI=1S/C10H10O5S/c1-15-9(14)5-16-10-6(4-11)7(12)2-3-8(10)13/h2-4,12-13H,5H2,1H3