O-[4-(2-carboxyoxy-5-nitro-phenyl)phenyl] methanethioate

Systemtic Name: O-[4-(2-carboxyoxy-5-nitro-phenyl)phenyl] methanethioate Openeye Name: O-[4-(2-carboxyoxy-5-nitro-phenyl)phenyl] methanethioate CAS Name: methanethioic acid O-[4-(2-carboxyoxy-5-nitrophenyl)phenyl] ester IUPAC Name: O-[4-(2-carboxyoxy-5-nitrophenyl)phenyl] methanethioate Traditional Name: methanethioic acid O-[4-(2-carboxyoxy-5-nitro-phenyl)phenyl] ester Formula: C14H9NO6S MolecularWeight: 319.28936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)O)OC=S

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)O)OC=S

InChI

InChI=1S/C14H9NO6S/c16-14(17)21-13-6-3-10(15(18)19)7-12(13)9-1-4-11(5-2-9)20-8-22/h1-8H,(H,16,17)