1,2-diphenylethane-1,2-dione; nitro 4-methylbenzenesulfonate

Systemtic Name: 1,2-diphenylethane-1,2-dione; nitro 4-methylbenzenesulfonate Openeye Name: 1,2-diphenylethane-1,2-dione; nitro 4-methylbenzenesulfonate CAS Name: 1,2-diphenylethane-1,2-dione; 4-methylbenzenesulfonic acid nitro ester IUPAC Name: 1,2-diphenylethane-1,2-dione; nitro 4-methylbenzenesulfonate Traditional Name: benzil; 4-methylbenzenesulfonic acid nitro ester Formula: C21H17NO7S MolecularWeight: 427.42718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O[N+](=O)[O-].C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[N+](=O)[O-].C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H10O2.C7H7NO5S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)14(11,12)13-8(9)10/h1-10H;2-5H,1H3