2-[[2-nitro-5-[(4-phenylphenyl)methoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-nitro-5-[(4-phenylphenyl)methoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-nitro-5-[(4-phenylphenyl)methoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-nitro-5-[(4-phenylphenyl)methoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-nitro-5-[(4-phenylphenyl)methoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-nitro-5-(4-phenylbenzyl)oxy-benzyl]thio]acetic acid Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)[N+](=O)[O-])CSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)[N+](=O)[O-])CSCC(=O)O

InChI

InChI=1S/C22H19NO5S/c24-22(25)15-29-14-19-12-20(10-11-21(19)23(26)27)28-13-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-12H,13-15H2,(H,24,25)