4-[3-(3,4-dinitrophenoxy)-2-oxidanyl-propyl]sulfanylphenol

Systemtic Name: 4-[3-(3,4-dinitrophenoxy)-2-oxidanyl-propyl]sulfanylphenol Openeye Name: 4-[3-(3,4-dinitrophenoxy)-2-hydroxy-propyl]sulfanylphenol CAS Name: 4-[[3-(3,4-dinitrophenoxy)-2-hydroxypropyl]thio]phenol IUPAC Name: 4-[3-(3,4-dinitrophenoxy)-2-hydroxypropyl]sulfanylphenol Traditional Name: 4-[[3-(3,4-dinitrophenoxy)-2-hydroxy-propyl]thio]phenol Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)SCC(COC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1O)SCC(COC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C15H14N2O7S/c18-10-1-4-13(5-2-10)25-9-11(19)8-24-12-3-6-14(16(20)21)15(7-12)17(22)23/h1-7,11,18-19H,8-9H2