4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonic acid

Systemtic Name: 4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonic acid Openeye Name: 4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonic acid CAS Name: 4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonic acid IUPAC Name: 4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonic acid Traditional Name: 4-methoxy-2-(2-nitrobenzyl)besylic acid Formula: C14H13NO6S MolecularWeight: 323.32112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H13NO6S/c1-21-12-6-7-14(22(18,19)20)11(9-12)8-10-4-2-3-5-13(10)15(16)17/h2-7,9H,8H2,1H3,(H,18,19,20)