(9S)-7-methyl-9-phenylmethoxy-heptadec-5-yn-7-ol

Systemtic Name: (9S)-7-methyl-9-phenylmethoxy-heptadec-5-yn-7-ol Openeye Name: (9S)-9-benzyloxy-7-methyl-heptadec-5-yn-7-ol CAS Name: (9S)-7-methyl-9-phenylmethoxy-5-heptadecyn-7-ol IUPAC Name: (9S)-7-methyl-9-phenylmethoxyheptadec-5-yn-7-ol Traditional Name: (9S)-9-benzoxy-7-methyl-heptadec-5-yn-7-ol Formula: C25H40O2 MolecularWeight: 372.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(C)(C#CCCCC)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC[C@@H](CC(C)(C#CCCCC)O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H40O2/c1-4-6-8-10-11-15-19-24(27-22-23-17-13-12-14-18-23)21-25(3,26)20-16-9-7-5-2/h12-14,17-18,24,26H,4-11,15,19,21-22H2,1-3H3/t24-,25?/m0/s1