3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylperoxymethyl]-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylperoxymethyl]-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylperoxymethyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethyldioxymethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylperoxymethyl]-10,10-dioxothioxanthen-9-one Traditional Name: 10,10-diketo-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylperoxymethyl]thioxanthen-9-one Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOOCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOOCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S/c1-13-21-11-19(23(25)26)22(13)8-9-29-30-12-14-6-7-16-18(10-14)31(27,28)17-5-3-2-4-15(17)20(16)24/h2-7,10-11H,8-9,12H2,1H3