(4-acetamidonaphthalen-1-yl) 2,4,5-tris(chloranyl)benzenesulfonate

Systemtic Name: (4-acetamidonaphthalen-1-yl) 2,4,5-tris(chloranyl)benzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 2,4,5-trichlorobenzenesulfonate CAS Name: 2,4,5-trichlorobenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 2,4,5-trichlorobenzenesulfonate Traditional Name: 2,4,5-trichlorobenzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C18H12Cl3NO4S MolecularWeight: 444.71618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C18H12Cl3NO4S/c1-10(23)22-16-6-7-17(12-5-3-2-4-11(12)16)26-27(24,25)18-9-14(20)13(19)8-15(18)21/h2-9H,1H3,(H,22,23)