(2S,3S)-2,3-bis(oxidanyl)butanedioic acid; (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one

Systemtic Name: (2S,3S)-2,3-bis(oxidanyl)butanedioic acid; (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one Openeye Name: (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone; (2S,3S)-2,3-dihydroxybutanedioic acid CAS Name: (2S)-2-(2-chlorophenyl)-2-(methylamino)-1-cyclohexanone; (2S,3S)-2,3-dihydroxybutanedioic acid IUPAC Name: (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one; (2S,3S)-2,3-dihydroxybutanedioic acid Traditional Name: (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone; (2S,3S)-2,3-dihydroxysuccinic acid Formula: C17H22ClNO7 MolecularWeight: 387.81208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1(CCCCC1=O)C2=CC=CC=C2Cl.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN[C@@]1(CCCCC1=O)C2=CC=CC=C2Cl.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C13H16ClNO.C4H6O6/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;5-1(3(7)8)2(6)4(9)10/h2-3,6-7,15H,4-5,8-9H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t13-;1-,2-/m00/s1