aluminum 3,4-dimethyl-2-oxidanyl-benzenesulfonate

Systemtic Name: aluminum 3,4-dimethyl-2-oxidanyl-benzenesulfonate Openeye Name: aluminum 2-hydroxy-3,4-dimethyl-benzenesulfonate CAS Name: aluminum 2-hydroxy-3,4-dimethylbenzenesulfonate IUPAC Name: aluminum 2-hydroxy-3,4-dimethylbenzenesulfonate Traditional Name: aluminum 2-hydroxy-3,4-dimethyl-besylate Formula: C24H27AlO12S3 MolecularWeight: 630.640518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)[O-])O)C.CC1=C(C(=C(C=C1)S(=O)(=O)[O-])O)C.CC1=C(C(=C(C=C1)S(=O)(=O)[O-])O)C.[Al+3]

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)[O-])O)C.CC1=C(C(=C(C=C1)S(=O)(=O)[O-])O)C.CC1=C(C(=C(C=C1)S(=O)(=O)[O-])O)C.[Al+3]

InChI

InChI=1S/3C8H10O4S.Al/c3*1-5-3-4-7(13(10,11)12)8(9)6(5)2;/h3*3-4,9H,1-2H3,(H,10,11,12);/q;;;+3/p-3