4-[(4-chlorophenyl)methylsulfanyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-nitro-benzoic acid Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-nitro-benzoic acid CAS Name: 4-[(4-chlorophenyl)methylthio]-3-nitrobenzoic acid IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-nitrobenzoic acid Traditional Name: 4-[(4-chlorobenzyl)thio]-3-nitro-benzoic acid Formula: C14H10ClNO4S MolecularWeight: 323.7515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H10ClNO4S/c15-11-4-1-9(2-5-11)8-21-13-6-3-10(14(17)18)7-12(13)16(19)20/h1-7H,8H2,(H,17,18)