2-methyloxirane; (E)-octadec-9-enoic acid; oxirane

Systemtic Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane Openeye Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane CAS Name: 2-methyloxirane; (E)-9-octadecenoic acid; oxirane IUPAC Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane Traditional Name: elaidic acid; ethylene oxide; propylene oxide Formula: C41H78O6 MolecularWeight: 667.05442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CC1CO1.C1CO1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.CC1OC1.C1OC1

InChI

InChI=1S/2C18H34O2.C3H6O.C2H4O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-2-4-3;1-2-3-1/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);3H,2H2,1H3;1-2H2/b2*10-9+;;