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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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