1-heptylsulfanyl-2,3,6-trimethyl-hept-6-en-4-yn-3-ol

Systemtic Name: 1-heptylsulfanyl-2,3,6-trimethyl-hept-6-en-4-yn-3-ol Openeye Name: 1-heptylsulfanyl-2,3,6-trimethyl-hept-6-en-4-yn-3-ol CAS Name: 1-(heptylthio)-2,3,6-trimethyl-3-hept-6-en-4-ynol IUPAC Name: 1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol Traditional Name: 1-(heptylthio)-2,3,6-trimethyl-hept-6-en-4-yn-3-ol Formula: C17H30OS MolecularWeight: 282.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C)C(C)(C#CC(=C)C)O

Isomeric SMILES

CCCCCCCSCC(C)C(C)(C#CC(=C)C)O

InChI

InChI=1S/C17H30OS/c1-6-7-8-9-10-13-19-14-16(4)17(5,18)12-11-15(2)3/h16,18H,2,6-10,13-14H2,1,3-5H3