2-[(4-bromophenyl)methylsulfanyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5-nitro-benzoic acid Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-5-nitro-benzoic acid CAS Name: 2-[(4-bromophenyl)methylthio]-5-nitrobenzoic acid IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-5-nitrobenzoic acid Traditional Name: 2-[(4-bromobenzyl)thio]-5-nitro-benzoic acid Formula: C14H10BrNO4S MolecularWeight: 368.2025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO4S/c15-10-3-1-9(2-4-10)8-21-13-6-5-11(16(19)20)7-12(13)14(17)18/h1-7H,8H2,(H,17,18)