(2S)-2-[9,10-bis(chloranyl)octadecanoylamino]butanedioic acid

Systemtic Name: (2S)-2-[9,10-bis(chloranyl)octadecanoylamino]butanedioic acid Openeye Name: (2S)-2-(9,10-dichlorooctadecanoylamino)butanedioic acid CAS Name: (2S)-2-[(9,10-dichloro-1-oxooctadecyl)amino]butanedioic acid IUPAC Name: (2S)-2-(9,10-dichlorooctadecanoylamino)butanedioic acid Traditional Name: (2S)-2-(9,10-dichlorooctadecanoylamino)succinic acid Formula: C22H39Cl2NO5 MolecularWeight: 468.45476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)NC(CC(=O)O)C(=O)O)Cl)Cl

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O)Cl)Cl

InChI

InChI=1S/C22H39Cl2NO5/c1-2-3-4-5-7-10-13-17(23)18(24)14-11-8-6-9-12-15-20(26)25-19(22(29)30)16-21(27)28/h17-19H,2-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t17?,18?,19-/m0/s1