2-azanyl-4-fluoranyl-3-methyl-5-phenoxysulfonyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-fluoranyl-3-methyl-5-phenoxysulfonyl-benzenesulfonic acid Openeye Name: 2-amino-4-fluoro-3-methyl-5-phenoxysulfonyl-benzenesulfonic acid CAS Name: 2-amino-4-fluoro-3-methyl-5-phenoxysulfonylbenzenesulfonic acid IUPAC Name: 2-amino-4-fluoro-3-methyl-5-phenoxysulfonylbenzenesulfonic acid Traditional Name: 2-amino-4-fluoro-3-methyl-5-phenoxysulfonyl-besylic acid Formula: C13H12FNO6S2 MolecularWeight: 361.365883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1F)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C(=CC(=C1F)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)O)N

InChI

InChI=1S/C13H12FNO6S2/c1-8-12(14)10(7-11(13(8)15)22(16,17)18)23(19,20)21-9-5-3-2-4-6-9/h2-7H,15H2,1H3,(H,16,17,18)