tert-butyl N-[(E)-1-[2-bromoethyloxy(methoxy)phosphoryl]oxy-3-oxidanyl-octadec-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E)-1-[2-bromoethyloxy(methoxy)phosphoryl]oxy-3-oxidanyl-octadec-4-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E)-1-[[2-bromoethoxy(methoxy)phosphoryl]oxymethyl]-2-hydroxy-heptadec-3-enyl]carbamate CAS Name: N-[(E)-1-[2-bromoethoxy(methoxy)phosphoryl]oxy-3-hydroxyoctadec-4-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-1-[2-bromoethoxy(methoxy)phosphoryl]oxy-3-hydroxyoctadec-4-en-2-yl]carbamate Traditional Name: N-[(E)-1-[[2-bromoethoxy(methoxy)phosphoryl]oxymethyl]-2-hydroxy-heptadec-3-enyl]carbamic acid tert-butyl ester Formula: C26H51BrNO7P MolecularWeight: 600.563401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(OC)OCCBr)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COP(=O)(OC)OCCBr)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C26H51BrNO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(29)23(28-25(30)35-26(2,3)4)22-34-36(31,32-5)33-21-20-27/h18-19,23-24,29H,6-17,20-22H2,1-5H3,(H,28,30)/b19-18+