12-[2-azanylethyl-[12-[(E)-octadec-9-enoxy]-12-oxidanylidene-dodecyl]amino]dodecanoic acid

Systemtic Name: 12-[2-azanylethyl-[12-[(E)-octadec-9-enoxy]-12-oxidanylidene-dodecyl]amino]dodecanoic acid Openeye Name: 12-[2-aminoethyl-[12-[(E)-octadec-9-enoxy]-12-oxo-dodecyl]amino]dodecanoic acid CAS Name: 12-[2-aminoethyl-[12-[(E)-octadec-9-enoxy]-12-oxododecyl]amino]dodecanoic acid IUPAC Name: 12-[2-aminoethyl-[12-[(E)-octadec-9-enoxy]-12-oxododecyl]amino]dodecanoic acid Traditional Name: 12-[2-aminoethyl-[12-keto-12-[(E)-octadec-9-enoxy]dodecyl]amino]lauric acid Formula: C44H86N2O4 MolecularWeight: 707.16464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C44H86N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-30-35-42-50-44(49)37-32-27-22-17-15-19-24-29-34-40-46(41-38-45)39-33-28-23-18-14-16-21-26-31-36-43(47)48/h9-10H,2-8,11-42,45H2,1H3,(H,47,48)/b10-9+