oxidanyl-[1-(phenylmethyl)pyrrol-2-yl]methanesulfonic acid; tungsten

Systemtic Name: oxidanyl-[1-(phenylmethyl)pyrrol-2-yl]methanesulfonic acid; tungsten Openeye Name: (1-benzylpyrrol-2-yl)-hydroxy-methanesulfonic acid; tungsten CAS Name: hydroxy-[1-(phenylmethyl)-2-pyrrolyl]methanesulfonic acid; tungsten IUPAC Name: (1-benzylpyrrol-2-yl)-hydroxymethanesulfonic acid; tungsten Traditional Name: (1-benzylpyrrol-2-yl)-hydroxy-methanesulfonic acid; tungsten Formula: C12H13NO4SW MolecularWeight: 451.14092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC=C2C(O)S(=O)(=O)O.[W]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC=C2C(O)S(=O)(=O)O.[W]

InChI

InChI=1S/C12H13NO4S.W/c14-12(18(15,16)17)11-7-4-8-13(11)9-10-5-2-1-3-6-10;/h1-8,12,14H,9H2,(H,15,16,17);