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aluminum 2-dodecylbenzenesulfonate

aluminum 2-dodecylbenzenesulfonate

Systemtic Name:aluminum 2-dodecylbenzenesulfonate
Openeye Name:aluminum 2-dodecylbenzenesulfonate
CAS Name:aluminum 2-dodecylbenzenesulfonate
IUPAC Name:aluminum 2-dodecylbenzenesulfonate
Traditional Name:aluminum 2-laurylbesylate
Formula: C54H87AlO9S3
MolecularWeight: 1003.439718
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Al+3]


Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Al+3]


InChI

InChI=1S/3C18H30O3S.Al/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;;+3/p-3


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