(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-chloranylpropane-1-sulfonate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-chloranylpropane-1-sulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 3-chloropropane-1-sulfonate CAS Name: 3-chloro-1-propanesulfonic acid IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 3-chloropropane-1-sulfonate Traditional Name: 3-chloropropane-1-sulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C14H15ClO5S MolecularWeight: 330.7839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)CCCCl)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)CCCCl)C

InChI

InChI=1S/C14H15ClO5S/c1-9-10(2)14(16)19-13-8-11(4-5-12(9)13)20-21(17,18)7-3-6-15/h4-5,8H,3,6-7H2,1-2H3