3-(5-chloranylpentyl)-3-(2-phenylmethoxytridecyl)oxetan-2-one

Systemtic Name: 3-(5-chloranylpentyl)-3-(2-phenylmethoxytridecyl)oxetan-2-one Openeye Name: 3-(2-benzyloxytridecyl)-3-(5-chloropentyl)oxetan-2-one CAS Name: 3-(5-chloropentyl)-3-(2-phenylmethoxytridecyl)-2-oxetanone IUPAC Name: 3-(5-chloropentyl)-3-(2-phenylmethoxytridecyl)oxetan-2-one Traditional Name: 3-(2-benzoxytridecyl)-3-(5-chloropentyl)oxetan-2-one Formula: C28H45ClO3 MolecularWeight: 465.1081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1(COC1=O)CCCCCCl)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(CC1(COC1=O)CCCCCCl)OCC2=CC=CC=C2

InChI

InChI=1S/C28H45ClO3/c1-2-3-4-5-6-7-8-9-14-19-26(31-23-25-17-12-10-13-18-25)22-28(24-32-27(28)30)20-15-11-16-21-29/h10,12-13,17-18,26H,2-9,11,14-16,19-24H2,1H3