hexane-1,2,3,4,5,6-hexol; (E)-octadec-9-enoic acid

Systemtic Name: hexane-1,2,3,4,5,6-hexol; (E)-octadec-9-enoic acid Openeye Name: hexane-1,2,3,4,5,6-hexol; (E)-octadec-9-enoic acid CAS Name: hexane-1,2,3,4,5,6-hexol; (E)-9-octadecenoic acid IUPAC Name: hexane-1,2,3,4,5,6-hexol; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; hexane-1,2,3,4,5,6-hexol Formula: C66H130O18 MolecularWeight: 1211.7276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.C(C(C(C(C(CO)O)O)O)O)O.C(C(C(C(C(CO)O)O)O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.C(O)C(O)C(O)C(O)C(O)CO.C(O)C(O)C(O)C(O)C(O)CO

InChI

InChI=1S/3C18H34O2.2C6H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-1-3(9)5(11)6(12)4(10)2-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-12H,1-2H2/b3*10-9+;;