(4S)-2,4-bis(oxidanyl)-7-phenylmethoxy-heptanenitrile

Systemtic Name: (4S)-2,4-bis(oxidanyl)-7-phenylmethoxy-heptanenitrile Openeye Name: (4S)-7-benzyloxy-2,4-dihydroxy-heptanenitrile CAS Name: (4S)-2,4-dihydroxy-7-phenylmethoxyheptanenitrile IUPAC Name: (4S)-2,4-dihydroxy-7-phenylmethoxyheptanenitrile Traditional Name: (4S)-7-benzoxy-2,4-dihydroxy-enanthonitrile Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCC(CC(C#N)O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCC[C@@H](CC(C#N)O)O

InChI

InChI=1S/C14H19NO3/c15-10-14(17)9-13(16)7-4-8-18-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,16-17H,4,7-9,11H2/t13-,14?/m0/s1