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

Systemtic Name: [(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [(1R)-1,7-dimethyl-3-oxo-indan-4-yl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic 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] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [(1R)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C18H17NO6S MolecularWeight: 375.39568

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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)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6S/c1-10-4-6-13(9-14(10)19(21)22)26(23,24)25-16-7-5-11(2)17-12(3)8-15(20)18(16)17/h4-7,9,12H,8H2,1-3H3/t12-/m1/s1