5-nitro-2-(phenylmethylsulfanyl)benzaldehyde

Systemtic Name: 5-nitro-2-(phenylmethylsulfanyl)benzaldehyde Openeye Name: 2-benzylsulfanyl-5-nitro-benzaldehyde CAS Name: 5-nitro-2-(phenylmethylthio)benzaldehyde IUPAC Name: 2-benzylsulfanyl-5-nitrobenzaldehyde Traditional Name: 2-(benzylthio)-5-nitro-benzaldehyde Formula: C14H11NO3S MolecularWeight: 273.30704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C14H11NO3S/c16-9-12-8-13(15(17)18)6-7-14(12)19-10-11-4-2-1-3-5-11/h1-9H,10H2