(4-methanoyl-2-methoxy-phenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-formyl-2-methoxy-phenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (4-formyl-2-methoxy-phenyl) ester Formula: C15H13NO7S MolecularWeight: 351.33122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)C=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)C=O)OC

InChI

InChI=1S/C15H13NO7S/c1-10-3-5-12(16(18)19)8-15(10)24(20,21)23-13-6-4-11(9-17)7-14(13)22-2/h3-9H,1-2H3