4-(4-ethynylphenyl)-1-propyl-3,5,8-trithiabicyclo[2.2.2]octane

Systemtic Name: 4-(4-ethynylphenyl)-1-propyl-3,5,8-trithiabicyclo[2.2.2]octane Openeye Name: 4-(4-ethynylphenyl)-1-propyl-3,5,8-trithiabicyclo[2.2.2]octane CAS Name: 4-(4-ethynylphenyl)-1-propyl-3,5,8-trithiabicyclo[2.2.2]octane IUPAC Name: 4-(4-ethynylphenyl)-1-propyl-3,5,8-trithiabicyclo[2.2.2]octane Traditional Name: 4-(4-ethynylphenyl)-1-propyl-3,5,8-trithiabicyclo[2.2.2]octane Formula: C16H18S3 MolecularWeight: 306.50912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CSC(SC1)(SC2)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCC12CSC(SC1)(SC2)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C16H18S3/c1-3-9-15-10-17-16(18-11-15,19-12-15)14-7-5-13(4-2)6-8-14/h2,5-8H,3,9-12H2,1H3