3-[3,3-bis(oxidanyl)propoxy]propane-1,1-diol; (Z)-octadec-9-enoic acid

Systemtic Name: 3-[3,3-bis(oxidanyl)propoxy]propane-1,1-diol; (Z)-octadec-9-enoic acid Openeye Name: 3-(3,3-dihydroxypropoxy)propane-1,1-diol; (Z)-octadec-9-enoic acid CAS Name: 3-(3,3-dihydroxypropoxy)propane-1,1-diol; (Z)-9-octadecenoic acid IUPAC Name: 3-(3,3-dihydroxypropoxy)propane-1,1-diol; (Z)-octadec-9-enoic acid Traditional Name: 3-(3,3-dihydroxypropoxy)propane-1,1-diol; oleic acid Formula: C54H110O19 MolecularWeight: 1063.4398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.C(COCCC(O)O)C(O)O.C(COCCC(O)O)C(O)O.C(COCCC(O)O)C(O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.C(C(O)O)COCCC(O)O.C(C(O)O)COCCC(O)O.C(C(O)O)COCCC(O)O

InChI

InChI=1S/2C18H34O2.3C6H14O5/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*7-5(8)1-3-11-4-2-6(9)10/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);3*5-10H,1-4H2/b2*10-9-;;;