chromen-2-one; methanesulfonate; propane

Systemtic Name: chromen-2-one; methanesulfonate; propane Openeye Name: chromen-2-one; methanesulfonate; propane CAS Name: 1-benzopyran-2-one; methanesulfonate; propane IUPAC Name: chromen-2-one; methanesulfonate; propane Traditional Name: coumarin; n-propane; mesylate Formula: C13H17O5S- MolecularWeight: 285.33608

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)O2

Isomeric SMILES

CCC.CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)O2

InChI

InChI=1S/C9H6O2.C3H8.CH4O3S/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-2;1-5(2,3)4/h1-6H;3H2,1-2H3;1H3,(H,2,3,4)/p-1