(E)-octadec-9-enoic acid; propan-1-ol

Systemtic Name: (E)-octadec-9-enoic acid; propan-1-ol Openeye Name: (E)-octadec-9-enoic acid; propan-1-ol CAS Name: (E)-9-octadecenoic acid; 1-propanol IUPAC Name: (E)-octadec-9-enoic acid; propan-1-ol Traditional Name: elaidic acid; propan-1-ol Formula: C57H110O7 MolecularWeight: 907.4791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CCCO

Isomeric SMILES

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

InChI

InChI=1S/3C18H34O2.C3H8O/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);4H,2-3H2,1H3/b3*10-9+;