2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-octadec-2-enoic acid

Systemtic Name: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-octadec-2-enoic acid Openeye Name: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-octadec-2-enoic acid CAS Name: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-2-octadecenoic acid IUPAC Name: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-octadec-2-enoic acid Traditional Name: 2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol; (E)-octadec-2-enoic acid Formula: C40H79NO4 MolecularWeight: 638.05956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)O.CCCCCCCCC=CCCCCCCCCN(CCO)CCO

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)O.CCCCCCCC/C=C/CCCCCCCCN(CCO)CCO

InChI

InChI=1S/C22H45NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,24-25H,2-8,11-22H2,1H3;16-17H,2-15H2,1H3,(H,19,20)/b10-9+;17-16+