2-[2-(3-bromophenyl)sulfanyl-5-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[2-(3-bromophenyl)sulfanyl-5-nitro-phenyl]ethanoic acid Openeye Name: 2-[2-(3-bromophenyl)sulfanyl-5-nitro-phenyl]acetic acid CAS Name: 2-[2-[(3-bromophenyl)thio]-5-nitrophenyl]acetic acid IUPAC Name: 2-[2-(3-bromophenyl)sulfanyl-5-nitrophenyl]acetic acid Traditional Name: 2-[2-[(3-bromophenyl)thio]-5-nitro-phenyl]acetic acid Formula: C14H10BrNO4S MolecularWeight: 368.2025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)SC2=C(C=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)SC2=C(C=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

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