5-nitro-2-(3-phenylpropylsulfanyl)benzaldehyde

Systemtic Name: 5-nitro-2-(3-phenylpropylsulfanyl)benzaldehyde Openeye Name: 5-nitro-2-(3-phenylpropylsulfanyl)benzaldehyde CAS Name: 5-nitro-2-(3-phenylpropylthio)benzaldehyde IUPAC Name: 5-nitro-2-(3-phenylpropylsulfanyl)benzaldehyde Traditional Name: 5-nitro-2-(3-phenylpropylthio)benzaldehyde Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C16H15NO3S/c18-12-14-11-15(17(19)20)8-9-16(14)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2