(2E)-2-[10-azanyl-3-(hydroxymethyl)-3-oxidanyl-10-oxidanylidene-decylidene]docosanoic acid

Systemtic Name: (2E)-2-[10-azanyl-3-(hydroxymethyl)-3-oxidanyl-10-oxidanylidene-decylidene]docosanoic acid Openeye Name: (2E)-2-[10-amino-3-hydroxy-3-(hydroxymethyl)-10-oxo-decylidene]docosanoic acid CAS Name: (2E)-2-[10-amino-3-hydroxy-3-(hydroxymethyl)-10-oxodecylidene]docosanoic acid IUPAC Name: (2E)-2-[10-amino-3-hydroxy-3-(hydroxymethyl)-10-oxodecylidene]docosanoic acid Traditional Name: (E)-12-amino-2-arachyl-5-hydroxy-12-keto-5-methylol-dodec-2-enoic acid Formula: C33H63NO5 MolecularWeight: 553.85702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=CCC(CCCCCCC(=O)N)(CO)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC/C(=C\CC(CCCCCCC(=O)N)(CO)O)/C(=O)O

InChI

InChI=1S/C33H63NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-30(32(37)38)26-28-33(39,29-35)27-23-20-19-22-25-31(34)36/h26,35,39H,2-25,27-29H2,1H3,(H2,34,36)(H,37,38)/b30-26+