2-(4-nitrophenyl)-8-phenylsulfanyl-octanoic acid

Systemtic Name: 2-(4-nitrophenyl)-8-phenylsulfanyl-octanoic acid Openeye Name: 2-(4-nitrophenyl)-8-phenylsulfanyl-octanoic acid CAS Name: 2-(4-nitrophenyl)-8-(phenylthio)octanoic acid IUPAC Name: 2-(4-nitrophenyl)-8-phenylsulfanyloctanoic acid Traditional Name: 2-(4-nitrophenyl)-8-(phenylthio)caprylic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c22-20(23)19(16-11-13-17(14-12-16)21(24)25)10-6-1-2-7-15-26-18-8-4-3-5-9-18/h3-5,8-9,11-14,19H,1-2,6-7,10,15H2,(H,22,23)