4-[1-[azanyl-(2,4,6-trinitrophenyl)methyl]sulfanylethyl]-2-methoxy-phenol

Systemtic Name: 4-[1-[azanyl-(2,4,6-trinitrophenyl)methyl]sulfanylethyl]-2-methoxy-phenol Openeye Name: 4-[1-[amino-(2,4,6-trinitrophenyl)methyl]sulfanylethyl]-2-methoxy-phenol CAS Name: 4-[1-[[amino-(2,4,6-trinitrophenyl)methyl]thio]ethyl]-2-methoxyphenol IUPAC Name: 4-[1-[amino-(2,4,6-trinitrophenyl)methyl]sulfanylethyl]-2-methoxyphenol Traditional Name: 4-[1-[[amino(picryl)methyl]thio]ethyl]-2-methoxy-phenol Formula: C16H16N4O8S MolecularWeight: 424.38524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O8S/c1-8(9-3-4-13(21)14(5-9)28-2)29-16(17)15-11(19(24)25)6-10(18(22)23)7-12(15)20(26)27/h3-8,16,21H,17H2,1-2H3