(E)-octadec-9-enoic acid; (2Z)-2-octylcyclodec-2-en-1-one

Systemtic Name: (E)-octadec-9-enoic acid; (2Z)-2-octylcyclodec-2-en-1-one Openeye Name: (E)-octadec-9-enoic acid; (2Z)-2-octylcyclodec-2-en-1-one CAS Name: (E)-9-octadecenoic acid; (2Z)-2-octyl-1-cyclodec-2-enone IUPAC Name: (E)-octadec-9-enoic acid; (2Z)-2-octylcyclodec-2-en-1-one Traditional Name: elaidic acid; (2Z)-2-octylcyclodec-2-en-1-one Formula: C36H66O3 MolecularWeight: 546.90744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC1=CCCCCCCCC1=O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C/1=C/CCCCCCCC1=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;1-2-3-4-5-8-11-14-17-15-12-9-6-7-10-13-16-18(17)19/h9-10H,2-8,11-17H2,1H3,(H,19,20);15H,2-14,16H2,1H3/b10-9+;17-15-