[(6S,12S)-12-oxidanyl-10-oxidanylidene-14-phenylmethoxy-tetradecan-6-yl] methanoate

Systemtic Name: [(6S,12S)-12-oxidanyl-10-oxidanylidene-14-phenylmethoxy-tetradecan-6-yl] methanoate Openeye Name: [(1S,7S)-9-benzyloxy-7-hydroxy-5-oxo-1-pentyl-nonyl] formate CAS Name: formic acid [(6S,12S)-12-hydroxy-10-oxo-14-phenylmethoxytetradecan-6-yl] ester IUPAC Name: [(6S,12S)-12-hydroxy-10-oxo-14-phenylmethoxytetradecan-6-yl] formate Traditional Name: formic acid [(1S,7S)-1-amyl-9-benzoxy-7-hydroxy-5-keto-nonyl] ester Formula: C22H31O5 MolecularWeight: 375.47854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC([CH][CH][CH]C(=O)CC(CCOCC1=CC=CC=C1)O)OC=O

Isomeric SMILES

CCCCC[C@H]([CH][CH][CH]C(=O)C[C@H](CCOCC1=CC=CC=C1)O)OC=O

InChI

InChI=1S/C22H31O5/c1-2-3-5-12-22(27-18-23)13-8-11-20(24)16-21(25)14-15-26-17-19-9-6-4-7-10-19/h4,6-11,13,18,21-22,25H,2-3,5,12,14-17H2,1H3/t21-,22+/m0/s1