(4-hexadecoxy-3-phenylmethoxy-butyl) dihydrogen phosphate

Systemtic Name: (4-hexadecoxy-3-phenylmethoxy-butyl) dihydrogen phosphate Openeye Name: (3-benzyloxy-4-hexadecoxy-butyl) dihydrogen phosphate CAS Name: (4-hexadecoxy-3-phenylmethoxybutyl) dihydrogen phosphate IUPAC Name: (4-hexadecoxy-3-phenylmethoxybutyl) dihydrogen phosphate Traditional Name: (3-benzoxy-4-cetyloxy-butyl) dihydrogen phosphate Formula: C27H49O6P MolecularWeight: 500.648121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCOP(=O)(O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCOP(=O)(O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H49O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-31-25-27(21-23-33-34(28,29)30)32-24-26-19-16-15-17-20-26/h15-17,19-20,27H,2-14,18,21-25H2,1H3,(H2,28,29,30)