2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester Formula: C17H16Cl2N2O4S MolecularWeight: 415.29094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCCSC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCCSC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16Cl2N2O4S/c1-20(2)14-6-3-11(9-15(14)21(23)24)17(22)25-7-8-26-16-10-12(18)4-5-13(16)19/h3-6,9-10H,7-8H2,1-2H3