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

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) pentane-1-sulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C

InChI

InChI=1S/C16H20O5S/c1-4-5-6-9-22(18,19)21-13-7-8-14-11(2)12(3)16(17)20-15(14)10-13/h7-8,10H,4-6,9H2,1-3H3