6-(hydroxymethyl)-3-[[3-[(4-methoxyphenyl)-sulfanyl-methyl]-2H-indazol-4-yl]peroxy]oxane-2,4,5-triol

Systemtic Name: 6-(hydroxymethyl)-3-[[3-[(4-methoxyphenyl)-sulfanyl-methyl]-2H-indazol-4-yl]peroxy]oxane-2,4,5-triol Openeye Name: 6-(hydroxymethyl)-3-[[3-[(4-methoxyphenyl)-sulfanyl-methyl]-2H-indazol-4-yl]peroxy]tetrahydropyran-2,4,5-triol CAS Name: 6-(hydroxymethyl)-3-[[3-[mercapto-(4-methoxyphenyl)methyl]-2H-indazol-4-yl]dioxy]oxane-2,4,5-triol IUPAC Name: 6-(hydroxymethyl)-3-[[3-[(4-methoxyphenyl)-sulfanylmethyl]-2H-indazol-4-yl]peroxy]oxane-2,4,5-triol Traditional Name: 3-[[3-[mercapto-(4-methoxyphenyl)methyl]-2H-indazol-4-yl]peroxy]-6-methylol-tetrahydropyran-2,4,5-triol Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=C3C(=NN2)C=CC=C3OOC4C(C(C(OC4O)CO)O)O)S

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=C3C(=NN2)C=CC=C3OOC4C(C(C(OC4O)CO)O)O)S

InChI

InChI=1S/C21H24N2O8S/c1-28-11-7-5-10(6-8-11)20(32)16-15-12(22-23-16)3-2-4-13(15)30-31-19-18(26)17(25)14(9-24)29-21(19)27/h2-8,14,17-21,24-27,32H,9H2,1H3,(H,22,23)