2,4-bis(4-chlorophenyl)-4-oxidanylidene-butane-2-sulfonate; phenylazanium

Systemtic Name: 2,4-bis(4-chlorophenyl)-4-oxidanylidene-butane-2-sulfonate; phenylazanium Openeye Name: 2,4-bis(4-chlorophenyl)-4-oxo-butane-2-sulfonate; phenylammonium CAS Name: 2,4-bis(4-chlorophenyl)-4-oxo-2-butanesulfonate; phenylammonium IUPAC Name: 2,4-bis(4-chlorophenyl)-4-oxobutane-2-sulfonate; phenylazanium Traditional Name: 2,4-bis(4-chlorophenyl)-4-keto-butane-2-sulfonate; phenylammonium Formula: C22H21Cl2NO4S MolecularWeight: 466.37744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH3+]

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH3+]

InChI

InChI=1S/C16H14Cl2O4S.C6H7N/c1-16(23(20,21)22,12-4-8-14(18)9-5-12)10-15(19)11-2-6-13(17)7-3-11;7-6-4-2-1-3-5-6/h2-9H,10H2,1H3,(H,20,21,22);1-5H,7H2