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(3,3-dimethyl-2H-1-benzofuran-5-yl) butane-2-sulfonate

(3,3-dimethyl-2H-1-benzofuran-5-yl) butane-2-sulfonate

Systemtic Name:(3,3-dimethyl-2H-1-benzofuran-5-yl) butane-2-sulfonate
Openeye Name:(3,3-dimethyl-2H-benzofuran-5-yl) butane-2-sulfonate
CAS Name:2-butanesulfonic acid
IUPAC Name:(3,3-dimethyl-2H-1-benzofuran-5-yl) butane-2-sulfonate
Traditional Name:butane-2-sulfonic acid (3,3-dimethylcoumaran-5-yl) ester
Formula: C14H20O4S
MolecularWeight: 284.3712
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C


Isomeric SMILES

CCC(C)S(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C


InChI

InChI=1S/C14H20O4S/c1-5-10(2)19(15,16)18-11-6-7-13-12(8-11)14(3,4)9-17-13/h6-8,10H,5,9H2,1-4H3


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