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sodium 3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonate

sodium 3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonate

Systemtic Name:sodium 3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonate
Openeye Name:sodium 2-(4-isobutylphenyl)-3-methoxy-benzenesulfonate
CAS Name:sodium 3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonate
IUPAC Name:sodium 3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonate
Traditional Name:sodium 2-(4-isobutylphenyl)-3-methoxy-besylate
Formula: C17H19NaO4S
MolecularWeight: 342.38513
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=C(C=CC=C2S(=O)(=O)[O-])OC.[Na+]


Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=C(C=CC=C2S(=O)(=O)[O-])OC.[Na+]


InChI

InChI=1S/C17H20O4S.Na/c1-12(2)11-13-7-9-14(10-8-13)17-15(21-3)5-4-6-16(17)22(18,19)20;/h4-10,12H,11H2,1-3H3,(H,18,19,20);/q;+1/p-1


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