4-(3-chloranyl-2,4,6-trinitro-phenoxy)phenol

Systemtic Name: 4-(3-chloranyl-2,4,6-trinitro-phenoxy)phenol Openeye Name: 4-(3-chloro-2,4,6-trinitro-phenoxy)phenol CAS Name: 4-(3-chloro-2,4,6-trinitrophenoxy)phenol IUPAC Name: 4-(3-chloro-2,4,6-trinitrophenoxy)phenol Traditional Name: 4-(3-chloro-2,4,6-trinitro-phenoxy)phenol Formula: C12H6ClN3O8 MolecularWeight: 355.64434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1O)OC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H6ClN3O8/c13-10-8(14(18)19)5-9(15(20)21)12(11(10)16(22)23)24-7-3-1-6(17)2-4-7/h1-5,17H