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sodium propan-2-ylbenzene sulfate

sodium propan-2-ylbenzene sulfate

Systemtic Name:sodium propan-2-ylbenzene sulfate
Openeye Name:sodium cumene sulfate
CAS Name:sodium cumene sulfate
IUPAC Name:sodium cumene sulfate
Traditional Name:sodium cumene sulfate
Formula: C9H12NaO4S-
MolecularWeight: 239.24395
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H12.Na.H2O4S/c1-8(2)9-6-4-3-5-7-9;;1-5(2,3)4/h3-8H,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2


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