(3S)-3-azaniumyl-2-[[2,6-bis(chloranyl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-azaniumyl-2-[[2,6-bis(chloranyl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: (3S)-3-azaniumyl-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-4-oxo-butanoate CAS Name: (3S)-3-ammonio-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-4-oxobutanoate IUPAC Name: (3S)-3-azaniumyl-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-4-oxobutanoate Traditional Name: (3S)-3-ammonio-2-(2,6-dichlorobenzyl)-4-hydroxy-4-keto-butyrate Formula: C11H11Cl2NO4 MolecularWeight: 292.11534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC([C@@H](C(=O)O)[NH3+])C(=O)[O-])Cl

InChI

InChI=1S/C11H11Cl2NO4/c12-7-2-1-3-8(13)5(7)4-6(10(15)16)9(14)11(17)18/h1-3,6,9H,4,14H2,(H,15,16)(H,17,18)/t6?,9-/m0/s1