[2-(hexadecoxymethyl)-3-phenylmethoxy-propyl]phosphonic acid

Systemtic Name: [2-(hexadecoxymethyl)-3-phenylmethoxy-propyl]phosphonic acid Openeye Name: [2-(benzyloxymethyl)-3-hexadecoxy-propyl]phosphonic acid CAS Name: [2-(hexadecoxymethyl)-3-phenylmethoxypropyl]phosphonic acid IUPAC Name: [2-(hexadecoxymethyl)-3-phenylmethoxypropyl]phosphonic acid Traditional Name: [2-(benzoxymethyl)-3-cetyloxy-propyl]phosphonic acid Formula: C27H49O5P MolecularWeight: 484.648721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1)CP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1)CP(=O)(O)O

InChI

InChI=1S/C27H49O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-31-23-27(25-33(28,29)30)24-32-22-26-19-16-15-17-20-26/h15-17,19-20,27H,2-14,18,21-25H2,1H3,(H2,28,29,30)