2-(3-nitrothiophen-2-yl)sulfanylethyl 4-chloranylbenzoate

Systemtic Name: 2-(3-nitrothiophen-2-yl)sulfanylethyl 4-chloranylbenzoate Openeye Name: 2-[(3-nitro-2-thienyl)sulfanyl]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[(3-nitro-2-thiophenyl)thio]ethyl ester IUPAC Name: 2-(3-nitrothiophen-2-yl)sulfanylethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[(3-nitro-2-thienyl)thio]ethyl ester Formula: C13H10ClNO4S2 MolecularWeight: 343.8058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCSC2=C(C=CS2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCSC2=C(C=CS2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClNO4S2/c14-10-3-1-9(2-4-10)12(16)19-6-8-21-13-11(15(17)18)5-7-20-13/h1-5,7H,6,8H2