[4-(1,3-dithiolan-2-yl)phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C16H12ClNO4S2 MolecularWeight: 381.85378

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClNO4S2/c17-13-6-3-11(9-14(13)18(20)21)15(19)22-12-4-1-10(2-5-12)16-23-7-8-24-16/h1-6,9,16H,7-8H2