5-(4-methylphenyl)sulfanyl-5-nitro-cyclohexa-1,3-diene-1-carbaldehyde

Systemtic Name: 5-(4-methylphenyl)sulfanyl-5-nitro-cyclohexa-1,3-diene-1-carbaldehyde Openeye Name: 5-nitro-5-(p-tolylsulfanyl)cyclohexa-1,3-diene-1-carbaldehyde CAS Name: 5-[(4-methylphenyl)thio]-5-nitro-1-cyclohexa-1,3-dienecarboxaldehyde IUPAC Name: 5-(4-methylphenyl)sulfanyl-5-nitrocyclohexa-1,3-diene-1-carbaldehyde Traditional Name: 5-nitro-5-(p-tolylthio)cyclohexa-1,3-diene-1-carbaldehyde Formula: C14H13NO3S MolecularWeight: 275.32292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(CC(=CC=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2(CC(=CC=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO3S/c1-11-4-6-13(7-5-11)19-14(15(17)18)8-2-3-12(9-14)10-16/h2-8,10H,9H2,1H3