4-[(3,5-dinitrophenyl)methylsulfanylmethyl]phenol

Systemtic Name: 4-[(3,5-dinitrophenyl)methylsulfanylmethyl]phenol Openeye Name: 4-[(3,5-dinitrophenyl)methylsulfanylmethyl]phenol CAS Name: 4-[[(3,5-dinitrophenyl)methylthio]methyl]phenol IUPAC Name: 4-[(3,5-dinitrophenyl)methylsulfanylmethyl]phenol Traditional Name: 4-[[(3,5-dinitrobenzyl)thio]methyl]phenol Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CSCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C14H12N2O5S/c17-14-3-1-10(2-4-14)8-22-9-11-5-12(15(18)19)7-13(6-11)16(20)21/h1-7,17H,8-9H2