2-[4-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methylamino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methylamino]phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methylamino]phenyl]thio]acetic acid IUPAC Name: 2-[4-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methylamino]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methylamino]phenyl]thio]acetic acid Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=C(C(=O)C=C(O2)CO)O)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCC2=C(C(=O)C=C(O2)CO)O)SCC(=O)O

InChI

InChI=1S/C15H15NO6S/c17-7-10-5-12(18)15(21)13(22-10)6-16-9-1-3-11(4-2-9)23-8-14(19)20/h1-5,16-17,21H,6-8H2,(H,19,20)