3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-benzaldehyde

Systemtic Name: 3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-benzaldehyde Openeye Name: 4-(2-isopropylphenyl)sulfanyl-3-nitro-benzaldehyde CAS Name: 3-nitro-4-[(2-propan-2-ylphenyl)thio]benzaldehyde IUPAC Name: 3-nitro-4-(2-propan-2-ylphenyl)sulfanylbenzaldehyde Traditional Name: 3-nitro-4-(o-cumenylthio)benzaldehyde Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO3S/c1-11(2)13-5-3-4-6-15(13)21-16-8-7-12(10-18)9-14(16)17(19)20/h3-11H,1-2H3