(2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (5-hydroxy-2,2-dimethyl-4-oxo-chroman-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-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=CC(=C3C(=O)CC(OC3=C2)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C3C(=O)CC(OC3=C2)(C)C)O

InChI

InChI=1S/C18H18O6S/c1-11-4-6-13(7-5-11)25(21,22)24-12-8-14(19)17-15(20)10-18(2,3)23-16(17)9-12/h4-9,19H,10H2,1-3H3