(E)-22-[2-azanylethyl-[(E)-22-oxidanyl-22-oxidanylidene-docos-9-enyl]amino]docos-13-enoic acid

Systemtic Name: (E)-22-[2-azanylethyl-[(E)-22-oxidanyl-22-oxidanylidene-docos-9-enyl]amino]docos-13-enoic acid Openeye Name: (E)-22-[2-aminoethyl-[(E)-22-hydroxy-22-oxo-docos-9-enyl]amino]docos-13-enoic acid CAS Name: (E)-22-[2-aminoethyl-[(E)-22-hydroxy-22-oxodocos-9-enyl]amino]-13-docosenoic acid IUPAC Name: (E)-22-[2-aminoethyl-[(E)-22-hydroxy-22-oxodocos-9-enyl]amino]docos-13-enoic acid Traditional Name: (E)-22-[2-aminoethyl-[(E)-22-hydroxy-22-keto-docos-9-enyl]amino]docos-13-enoic acid Formula: C46H88N2O4 MolecularWeight: 733.20192

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCCCCCC(=O)O)CCN)CCCCCC(=O)O

Isomeric SMILES

C(CCCCCC(=O)O)CCCCC/C=C/CCCCCCCCN(CCN)CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C46H88N2O4/c47-41-44-48(42-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-39-45(49)50)43-38-34-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-36-40-46(51)52/h5-6,9-10H,1-4,7-8,11-44,47H2,(H,49,50)(H,51,52)/b9-5+,10-6+