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sodium 3-butoxycarbonylbenzenesulfonate

sodium 3-butoxycarbonylbenzenesulfonate

Systemtic Name:sodium 3-butoxycarbonylbenzenesulfonate
Openeye Name:sodium 3-butoxycarbonylbenzenesulfonate
CAS Name:sodium 3-[butoxy(oxo)methyl]benzenesulfonate
IUPAC Name:sodium 3-butoxycarbonylbenzenesulfonate
Traditional Name:sodium 3-butoxycarbonylbesylate
Formula: C11H13NaO5S
MolecularWeight: 280.27269
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C11H14O5S.Na/c1-2-3-7-16-11(12)9-5-4-6-10(8-9)17(13,14)15;/h4-6,8H,2-3,7H2,1H3,(H,13,14,15);/q;+1/p-1


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