(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-methoxy-3-nitro-benzenesulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-methoxy-3-nitro-benzenesulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 4-methoxy-3-nitro-benzenesulfonate CAS Name: 4-methoxy-3-nitrobenzenesulfonic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 4-methoxy-3-nitrobenzenesulfonate Traditional Name: 4-methoxy-3-nitro-benzenesulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C18H17NO7S MolecularWeight: 391.39508

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

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO7S/c1-10-4-6-16(18-14(20)8-11(2)17(10)18)26-27(23,24)12-5-7-15(25-3)13(9-12)19(21)22/h4-7,9,11H,8H2,1-3H3