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(3,3,7-trimethyl-2H-1-benzofuran-5-yl) 3-chloranylpropane-1-sulfonate

(3,3,7-trimethyl-2H-1-benzofuran-5-yl) 3-chloranylpropane-1-sulfonate

Systemtic Name:(3,3,7-trimethyl-2H-1-benzofuran-5-yl) 3-chloranylpropane-1-sulfonate
Openeye Name:(3,3,7-trimethyl-2H-benzofuran-5-yl) 3-chloropropane-1-sulfonate
CAS Name:3-chloro-1-propanesulfonic acid
IUPAC Name:(3,3,7-trimethyl-2H-1-benzofuran-5-yl) 3-chloropropane-1-sulfonate
Traditional Name:3-chloropropane-1-sulfonic acid (3,3,7-trimethylcoumaran-5-yl) ester
Formula: C14H19ClO4S
MolecularWeight: 318.81626
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OS(=O)(=O)CCCCl)C(CO2)(C)C


Isomeric SMILES

CC1=C2C(=CC(=C1)OS(=O)(=O)CCCCl)C(CO2)(C)C


InChI

InChI=1S/C14H19ClO4S/c1-10-7-11(19-20(16,17)6-4-5-15)8-12-13(10)18-9-14(12,2)3/h7-8H,4-6,9H2,1-3H3


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