3,4-dimethyl-7-oxidanyl-chromen-2-one; octane-1-sulfonate

Systemtic Name: 3,4-dimethyl-7-oxidanyl-chromen-2-one; octane-1-sulfonate Openeye Name: 7-hydroxy-3,4-dimethyl-chromen-2-one; octane-1-sulfonate CAS Name: 7-hydroxy-3,4-dimethyl-1-benzopyran-2-one; 1-octanesulfonate IUPAC Name: 7-hydroxy-3,4-dimethylchromen-2-one; octane-1-sulfonate Traditional Name: 7-hydroxy-3,4-dimethyl-coumarin; octane-1-sulfonate Formula: C19H27O6S- MolecularWeight: 383.47908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].CC1=C(C(=O)OC2=C1C=CC(=C2)O)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].CC1=C(C(=O)OC2=C1C=CC(=C2)O)C

InChI

InChI=1S/C11H10O3.C8H18O3S/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10;1-2-3-4-5-6-7-8-12(9,10)11/h3-5,12H,1-2H3;2-8H2,1H3,(H,9,10,11)/p-1