1-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)ethanesulfonic acid

Systemtic Name: 1-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)ethanesulfonic acid Openeye Name: 1-(3,4-dimethyl-2-oxo-chromen-7-yl)ethanesulfonic acid CAS Name: 1-(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)ethanesulfonic acid IUPAC Name: 1-(3,4-dimethyl-2-oxochromen-7-yl)ethanesulfonic acid Traditional Name: 1-(2-keto-3,4-dimethyl-chromen-7-yl)ethanesulfonic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)C(C)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)C(C)S(=O)(=O)O)C

InChI

InChI=1S/C13H14O5S/c1-7-8(2)13(14)18-12-6-10(4-5-11(7)12)9(3)19(15,16)17/h4-6,9H,1-3H3,(H,15,16,17)