methyl 2-chloranylsulfonyl-4-nitro-benzoate

Systemtic Name: methyl 2-chloranylsulfonyl-4-nitro-benzoate Openeye Name: methyl 2-chlorosulfonyl-4-nitro-benzoate CAS Name: 2-chlorosulfonyl-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-chlorosulfonyl-4-nitrobenzoate Traditional Name: 2-chlorosulfonyl-4-nitro-benzoic acid methyl ester Formula: C8H6ClNO6S MolecularWeight: 279.65434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl

InChI

InChI=1S/C8H6ClNO6S/c1-16-8(11)6-3-2-5(10(12)13)4-7(6)17(9,14)15/h2-4H,1H3