methyl 2,2,8-trimethyl-4-oxidanylidene-3H-chromene-7-sulfonate

Systemtic Name: methyl 2,2,8-trimethyl-4-oxidanylidene-3H-chromene-7-sulfonate Openeye Name: methyl 2,2,8-trimethyl-4-oxo-chromane-7-sulfonate CAS Name: 2,2,8-trimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-sulfonic acid methyl ester IUPAC Name: methyl 2,2,8-trimethyl-4-oxo-3H-chromene-7-sulfonate Traditional Name: 4-keto-2,2,8-trimethyl-chroman-7-sulfonic acid methyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(CC2=O)(C)C)S(=O)(=O)OC

Isomeric SMILES

CC1=C(C=CC2=C1OC(CC2=O)(C)C)S(=O)(=O)OC

InChI

InChI=1S/C13H16O5S/c1-8-11(19(15,16)17-4)6-5-9-10(14)7-13(2,3)18-12(8)9/h5-6H,7H2,1-4H3