(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 2-bromanyl-4-methyl-benzenesulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 2-bromanyl-4-methyl-benzenesulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 2-bromo-4-methyl-benzenesulfonate CAS Name: 2-bromo-4-methylbenzenesulfonic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 2-bromo-4-methylbenzenesulfonate Traditional Name: 2-bromo-4-methyl-benzenesulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C18H17BrO4S MolecularWeight: 409.29418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=C(C=C(C=C3)C)Br

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C18H17BrO4S/c1-10-4-7-16(13(19)8-10)24(21,22)23-15-6-5-11(2)17-12(3)9-14(20)18(15)17/h4-8,12H,9H2,1-3H3