(E)-18-[2-azanylethyl-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid

Systemtic Name: (E)-18-[2-azanylethyl-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminoethyl-[(E)-18-hydroxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminoethyl-[(E)-18-hydroxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminoethyl-[(E)-18-hydroxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminoethyl-[(E)-18-hydroxy-18-keto-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C38H72N2O4 MolecularWeight: 620.98928

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCN(CCCCCCCCC=CCCCCCCCC(=O)O)CCN)CCCC=CCCCCCCCC(=O)O

Isomeric SMILES

C(CCC/C=C/CCCCCCCC(=O)O)CCCCN(CCN)CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C38H72N2O4/c39-33-36-40(34-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-37(41)42)35-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-38(43)44/h1-4H,5-36,39H2,(H,41,42)(H,43,44)/b3-1+,4-2+