3-hexadecoxy-2-phenylmethoxy-butan-1-ol

Systemtic Name: 3-hexadecoxy-2-phenylmethoxy-butan-1-ol Openeye Name: 2-benzyloxy-3-hexadecoxy-butan-1-ol CAS Name: 3-hexadecoxy-2-phenylmethoxy-1-butanol IUPAC Name: 3-hexadecoxy-2-phenylmethoxybutan-1-ol Traditional Name: 2-benzoxy-3-cetyloxy-butan-1-ol Formula: C27H48O3 MolecularWeight: 420.66822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C(CO)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C(CO)OCC1=CC=CC=C1

InChI

InChI=1S/C27H48O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-25(2)27(23-28)30-24-26-20-17-16-18-21-26/h16-18,20-21,25,27-28H,3-15,19,22-24H2,1-2H3