2-[[6,7-bis(oxidanyl)-2-oxidanylidene-3,4-dihydrochromen-4-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[6,7-bis(oxidanyl)-2-oxidanylidene-3,4-dihydrochromen-4-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[(6,7-dihydroxy-2-oxo-chroman-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(6,7-dihydroxy-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl)methylthio]acetic acid IUPAC Name: 2-[(6,7-dihydroxy-2-oxo-3,4-dihydrochromen-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(6,7-dihydroxy-2-keto-chroman-4-yl)methylthio]acetic acid Formula: C12H12O6S MolecularWeight: 284.28508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC(=C(C=C2OC1=O)O)O)CSCC(=O)O

Isomeric SMILES

C1C(C2=CC(=C(C=C2OC1=O)O)O)CSCC(=O)O

InChI

InChI=1S/C12H12O6S/c13-8-2-7-6(4-19-5-11(15)16)1-12(17)18-10(7)3-9(8)14/h2-3,6,13-14H,1,4-5H2,(H,15,16)