octadecanoate; 2-oxidanylbutanedioate

Systemtic Name: octadecanoate; 2-oxidanylbutanedioate Openeye Name: 2-hydroxybutanedioate; octadecanoate CAS Name: 2-hydroxybutanedioate; octadecanoate IUPAC Name: 2-hydroxybutanedioate; octadecanoate Traditional Name: 2-hydroxysuccinate; stearate Formula: C22H39O7-3 MolecularWeight: 415.54086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C4H6O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-2(4(8)9)1-3(6)7/h2-17H2,1H3,(H,19,20);2,5H,1H2,(H,6,7)(H,8,9)/p-3