trisodium2-butylbenzenesulfonate3-butylbenzenesulfonate4-butylbenzenesulfonate

trisodium;2-butylbenzenesulfonate;3-butylbenzenesulfonate;4-butylbenzenesulfonate

CAS: 26746-29-2

Molecular Formula	`C30H39Na3O9S3`
Molecular Weight	708.8 g/mol
Topological Polar Surface Area	197.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	708.14496
Heavy Atoms	45
Complexity	711.0

Chemical Identifiers

CAS Number	26746-29-2
SMILES	`CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+]`
InChIKey	`NJKABEAGDZKYCV-UHFFFAOYSA-K`

📖 Product Overview

trisodium2-butylbenzenesulfonate3-butylbenzenesulfonate4-butylbenzenesulfonate (CAS: 26746-29-2) is a chemical compound with molecular formula C30H39Na3O9S3 and molecular weight 708.8 g/mol. Its IUPAC systematic name is trisodium;2-butylbenzenesulfonate;3-butylbenzenesulfonate;4-butylbenzenesulfonate. Topological Polar Surface Area 197.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 9 Rotatable Bonds 9 Exact Mass 708.14496 Heavy Atoms 45 Complexity 711.0 InChI Key: NJKABEAGDZKYCV-UHFFFAOYSA-K. SMILES: CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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