(2,2-dimethyl-3-oxidanyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-2,2-dimethyl-4-oxo-chroman-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (3-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl) ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(C(O3)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(C(O3)(C)C)O

InChI

InChI=1S/C18H18O6S/c1-11-4-7-13(8-5-11)25(21,22)24-12-6-9-14-15(10-12)23-18(2,3)17(20)16(14)19/h4-10,17,20H,1-3H3