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

Systemtic Name: 1-hexylsulfanyl-2,3,6-trimethyl-hept-6-en-4-yn-3-ol Openeye Name: 1-hexylsulfanyl-2,3,6-trimethyl-hept-6-en-4-yn-3-ol CAS Name: 1-(hexylthio)-2,3,6-trimethyl-3-hept-6-en-4-ynol IUPAC Name: 1-hexylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol Traditional Name: 1-(hexylthio)-2,3,6-trimethyl-hept-6-en-4-yn-3-ol Formula: C16H28OS MolecularWeight: 268.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(C)C(C)(C#CC(=C)C)O

Isomeric SMILES

CCCCCCSCC(C)C(C)(C#CC(=C)C)O

InChI

InChI=1S/C16H28OS/c1-6-7-8-9-12-18-13-15(4)16(5,17)11-10-14(2)3/h15,17H,2,6-9,12-13H2,1,3-5H3