(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide; (E)-octadec-9-enoic acid

Systemtic Name: (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide; (E)-octadec-9-enoic acid Openeye Name: (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide; (E)-octadec-9-enoic acid CAS Name: (E)-9-octadecenoic acid; (2R,3S)-3-[(4E,7E)-1-oxonona-4,7-dienyl]-2-oxiranecarboxamide IUPAC Name: (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide Formula: C30H51NO5 MolecularWeight: 505.72964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CC=CCC=CCCC(=O)C1C(O1)C(=O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N

InChI

InChI=1S/C18H34O2.C12H17NO3/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(14)10-11(16-10)12(13)15/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b10-9+;3-2+,6-5+/t;10-,11-/m.1/s1