[3-nitro-4-(6-oxidanylhexylsulfanyl)phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-(6-oxidanylhexylsulfanyl)phenyl]-phenyl-methanone Openeye Name: [4-(6-hydroxyhexylsulfanyl)-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-(6-hydroxyhexylthio)-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-(6-hydroxyhexylsulfanyl)-3-nitrophenyl]-phenylmethanone Traditional Name: [4-(6-hydroxyhexylthio)-3-nitro-phenyl]-phenyl-methanone Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c21-12-6-1-2-7-13-25-18-11-10-16(14-17(18)20(23)24)19(22)15-8-4-3-5-9-15/h3-5,8-11,14,21H,1-2,6-7,12-13H2