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

Systemtic Name: (2,2-dimethyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-4-oxo-chroman-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (2,2-dimethyl-4-oxo-3H-chromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-2,2-dimethyl-chroman-7-yl) ester Formula: C18H18O5S MolecularWeight: 346.39752

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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)CC(O3)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S/c1-12-4-7-14(8-5-12)24(20,21)23-13-6-9-15-16(19)11-18(2,3)22-17(15)10-13/h4-10H,11H2,1-3H3