4-hexyl-3-(2-phenylmethoxytridecyl)oxetan-2-one

Systemtic Name: 4-hexyl-3-(2-phenylmethoxytridecyl)oxetan-2-one Openeye Name: 3-(2-benzyloxytridecyl)-4-hexyl-oxetan-2-one CAS Name: 4-hexyl-3-(2-phenylmethoxytridecyl)-2-oxetanone IUPAC Name: 4-hexyl-3-(2-phenylmethoxytridecyl)oxetan-2-one Traditional Name: 3-(2-benzoxytridecyl)-4-hexyl-oxetan-2-one Formula: C29H48O3 MolecularWeight: 444.68962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(OC1=O)CCCCCC)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(CC1C(OC1=O)CCCCCC)OCC2=CC=CC=C2

InChI

InChI=1S/C29H48O3/c1-3-5-7-9-10-11-12-13-17-21-26(31-24-25-19-15-14-16-20-25)23-27-28(32-29(27)30)22-18-8-6-4-2/h14-16,19-20,26-28H,3-13,17-18,21-24H2,1-2H3