chloranylmethanesulfonate; 3,4-dimethyl-7-oxidanyl-chromen-2-one

Systemtic Name: chloranylmethanesulfonate; 3,4-dimethyl-7-oxidanyl-chromen-2-one Openeye Name: chloromethanesulfonate; 7-hydroxy-3,4-dimethyl-chromen-2-one CAS Name: chloromethanesulfonate; 7-hydroxy-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: chloromethanesulfonate; 7-hydroxy-3,4-dimethylchromen-2-one Traditional Name: chloromethanesulfonate; 7-hydroxy-3,4-dimethyl-coumarin Formula: C12H12ClO6S- MolecularWeight: 319.73808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O3.CH3ClO3S/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10;2-1-6(3,4)5/h3-5,12H,1-2H3;1H2,(H,3,4,5)/p-1