aluminum 3,4-dimethylbenzenesulfonate

Systemtic Name: aluminum 3,4-dimethylbenzenesulfonate Openeye Name: aluminum 3,4-dimethylbenzenesulfonate CAS Name: aluminum 3,4-dimethylbenzenesulfonate IUPAC Name: aluminum 3,4-dimethylbenzenesulfonate Traditional Name: aluminum 3,4-dimethylbesylate Formula: C24H27AlO9S3 MolecularWeight: 582.642318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H10O3S.Al/c3*1-6-3-4-8(5-7(6)2)12(9,10)11;/h3*3-5H,1-2H3,(H,9,10,11);/q;;;+3/p-3