[(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-bromanyl-4-methoxy-benzenesulfonate

Systemtic Name: [(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-bromanyl-4-methoxy-benzenesulfonate Openeye Name: [(1R)-1,7-dimethyl-3-oxo-indan-4-yl] 3-bromo-4-methoxy-benzenesulfonate CAS Name: 3-bromo-4-methoxybenzenesulfonic acid [(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 3-bromo-4-methoxybenzenesulfonate Traditional Name: 3-bromo-4-methoxy-benzenesulfonic acid [(1R)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C18H17BrO5S MolecularWeight: 425.29358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H17BrO5S/c1-10-4-6-16(18-14(20)8-11(2)17(10)18)24-25(21,22)12-5-7-15(23-3)13(19)9-12/h4-7,9,11H,8H2,1-3H3/t11-/m1/s1