4-[(4-methylphenyl)methylsulfanyl]-2,6-dinitro-phenol

Systemtic Name: 4-[(4-methylphenyl)methylsulfanyl]-2,6-dinitro-phenol Openeye Name: 2,6-dinitro-4-(p-tolylmethylsulfanyl)phenol CAS Name: 4-[(4-methylphenyl)methylthio]-2,6-dinitrophenol IUPAC Name: 4-[(4-methylphenyl)methylsulfanyl]-2,6-dinitrophenol Traditional Name: 4-[(4-methylbenzyl)thio]-2,6-dinitro-phenol Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5S/c1-9-2-4-10(5-3-9)8-22-11-6-12(15(18)19)14(17)13(7-11)16(20)21/h2-7,17H,8H2,1H3