aluminum 2-(hydroxymethyl)benzenesulfonate

Systemtic Name: aluminum 2-(hydroxymethyl)benzenesulfonate Openeye Name: aluminum 2-(hydroxymethyl)benzenesulfonate CAS Name: aluminum 2-(hydroxymethyl)benzenesulfonate IUPAC Name: aluminum 2-(hydroxymethyl)benzenesulfonate Traditional Name: aluminum 2-methylolbesylate Formula: C21H21AlO12S3 MolecularWeight: 588.560778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CO)S(=O)(=O)[O-].C1=CC=C(C(=C1)CO)S(=O)(=O)[O-].C1=CC=C(C(=C1)CO)S(=O)(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC=C(C(=C1)CO)S(=O)(=O)[O-].C1=CC=C(C(=C1)CO)S(=O)(=O)[O-].C1=CC=C(C(=C1)CO)S(=O)(=O)[O-].[Al+3]

InChI

InChI=1S/3C7H8O4S.Al/c3*8-5-6-3-1-2-4-7(6)12(9,10)11;/h3*1-4,8H,5H2,(H,9,10,11);/q;;;+3/p-3