(6-chloranyl-2-oxidanylidene-chromen-4-yl) butane-1-sulfonate

Systemtic Name: (6-chloranyl-2-oxidanylidene-chromen-4-yl) butane-1-sulfonate Openeye Name: (6-chloro-2-oxo-chromen-4-yl) butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: (6-chloro-2-oxochromen-4-yl) butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (6-chloro-2-keto-chromen-4-yl) ester Formula: C13H13ClO5S MolecularWeight: 316.75732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC(=O)OC2=C1C=C(C=C2)Cl

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC(=O)OC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C13H13ClO5S/c1-2-3-6-20(16,17)19-12-8-13(15)18-11-5-4-9(14)7-10(11)12/h4-5,7-8H,2-3,6H2,1H3