2,3-bis(oxidanyl)butanedioate; octadecanoate

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; octadecanoate Openeye Name: 2,3-dihydroxybutanedioate; octadecanoate CAS Name: 2,3-dihydroxybutanedioate; octadecanoate IUPAC Name: 2,3-dihydroxybutanedioate; octadecanoate Traditional Name: stearate tartrate Formula: C22H39O8-3 MolecularWeight: 431.54026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/C18H36O2.C4H6O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-1(3(7)8)2(6)4(9)10/h2-17H2,1H3,(H,19,20);1-2,5-6H,(H,7,8)(H,9,10)/p-3