3-[(4-bromophenyl)methylsulfanyl]-5-nitro-benzoic acid

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-nitro-benzoic acid Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-nitro-benzoic acid CAS Name: 3-[(4-bromophenyl)methylthio]-5-nitrobenzoic acid IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-nitrobenzoic acid Traditional Name: 3-[(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=CC(=CC(=C2)[N+](=O)[O-])C(=O)O)Br

Isomeric SMILES

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

InChI

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