5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate; trimethylsulfanium

Systemtic Name: 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate; trimethylsulfanium Openeye Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoate; trimethylsulfonium CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoate; trimethylsulfonium IUPAC Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoate; trimethylsulfanium Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoate; trimethylsulfonium Formula: C16H15Cl2NO5S MolecularWeight: 404.265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C.C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[S+](C)C.C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H7Cl2NO5.C3H9S/c14-7-1-4-12(10(15)5-7)21-8-2-3-11(16(19)20)9(6-8)13(17)18;1-4(2)3/h1-6H,(H,17,18);1-3H3/q;+1/p-1