2-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(4-chlorophenyl)sulfanyl-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(4-chlorophenyl)sulfanyl-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-[(4-chlorophenyl)thio]-3-nitro-benzoyl]benzoic acid Formula: C20H12ClNO5S MolecularWeight: 413.83098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H12ClNO5S/c21-13-6-8-14(9-7-13)28-18-10-5-12(11-17(18)22(26)27)19(23)15-3-1-2-4-16(15)20(24)25/h1-11H,(H,24,25)