(E)-octadec-9-enoic acid; 2-[(E)-tetradec-5-enyl]cyclobutan-1-one

Systemtic Name: (E)-octadec-9-enoic acid; 2-[(E)-tetradec-5-enyl]cyclobutan-1-one Openeye Name: (E)-octadec-9-enoic acid; 2-[(E)-tetradec-5-enyl]cyclobutanone CAS Name: (E)-9-octadecenoic acid; 2-[(E)-tetradec-5-enyl]-1-cyclobutanone IUPAC Name: (E)-octadec-9-enoic acid; 2-[(E)-tetradec-5-enyl]cyclobutan-1-one Traditional Name: elaidic acid; 2-[(E)-tetradec-5-enyl]cyclobutanone Formula: C36H66O3 MolecularWeight: 546.90744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCC1CCC1=O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCC1CCC1=O

InChI

InChI=1S/C18H34O2.C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10H,2-8,11-17H2,1H3,(H,19,20);9-10,17H,2-8,11-16H2,1H3/b2*10-9+