4-phenylmethoxynon-6-yne-1,5,8-triol

Systemtic Name: 4-phenylmethoxynon-6-yne-1,5,8-triol Openeye Name: 4-benzyloxynon-6-yne-1,5,8-triol CAS Name: 4-phenylmethoxy-6-nonyne-1,5,8-triol IUPAC Name: 4-phenylmethoxynon-6-yne-1,5,8-triol Traditional Name: 4-benzoxynon-6-yne-1,5,8-triol Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(C(CCCO)OCC1=CC=CC=C1)O)O

Isomeric SMILES

CC(C#CC(C(CCCO)OCC1=CC=CC=C1)O)O

InChI

InChI=1S/C16H22O4/c1-13(18)9-10-15(19)16(8-5-11-17)20-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-19H,5,8,11-12H2,1H3