5-phenylmethoxytridec-7-yne-1,6-diol

Systemtic Name: 5-phenylmethoxytridec-7-yne-1,6-diol Openeye Name: 5-benzyloxytridec-7-yne-1,6-diol CAS Name: 5-phenylmethoxy-7-tridecyne-1,6-diol IUPAC Name: 5-phenylmethoxytridec-7-yne-1,6-diol Traditional Name: 5-benzoxytridec-7-yne-1,6-diol Formula: C20H30O3 MolecularWeight: 318.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(C(CCCCO)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCC#CC(C(CCCCO)OCC1=CC=CC=C1)O

InChI

InChI=1S/C20H30O3/c1-2-3-4-5-9-14-19(22)20(15-10-11-16-21)23-17-18-12-7-6-8-13-18/h6-8,12-13,19-22H,2-5,10-11,15-17H2,1H3