2-bromoethyl [3-(hexanoylamino)-2-pentoxy-propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [3-(hexanoylamino)-2-pentoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(hexanoylamino)-2-pentoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [3-(1-oxohexylamino)-2-pentoxypropyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(hexanoylamino)-2-pentoxypropyl] hydrogen phosphate Traditional Name: [2-amoxy-3-(caproylamino)propyl] 2-bromoethyl hydrogen phosphate Formula: C16H33BrNO6P MolecularWeight: 446.314081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCCCC

Isomeric SMILES

CCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCCCC

InChI

InChI=1S/C16H33BrNO6P/c1-3-5-7-9-16(19)18-13-15(22-11-8-6-4-2)14-24-25(20,21)23-12-10-17/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21)