2-(3,4-dimethylphenyl)sulfanyl-5-nitro-benzaldehyde

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-5-nitro-benzaldehyde Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-5-nitro-benzaldehyde CAS Name: 2-[(3,4-dimethylphenyl)thio]-5-nitrobenzaldehyde IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-5-nitrobenzaldehyde Traditional Name: 2-[(3,4-dimethylphenyl)thio]-5-nitro-benzaldehyde Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO3S/c1-10-3-5-14(7-11(10)2)20-15-6-4-13(16(18)19)8-12(15)9-17/h3-9H,1-2H3