4-hexadecoxy-3-phenylmethoxy-butan-2-ol

Systemtic Name: 4-hexadecoxy-3-phenylmethoxy-butan-2-ol Openeye Name: 3-benzyloxy-4-hexadecoxy-butan-2-ol CAS Name: 4-hexadecoxy-3-phenylmethoxy-2-butanol IUPAC Name: 4-hexadecoxy-3-phenylmethoxybutan-2-ol Traditional Name: 3-benzoxy-4-cetyloxy-butan-2-ol Formula: C27H48O3 MolecularWeight: 420.66822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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