5-tert-butyl-2-(4-pent-1-ynylphenyl)-1,3-dithiane

Systemtic Name: 5-tert-butyl-2-(4-pent-1-ynylphenyl)-1,3-dithiane Openeye Name: 5-tert-butyl-2-(4-pent-1-ynylphenyl)-1,3-dithiane CAS Name: 5-tert-butyl-2-(4-pent-1-ynylphenyl)-1,3-dithiane IUPAC Name: 5-tert-butyl-2-(4-pent-1-ynylphenyl)-1,3-dithiane Traditional Name: 5-tert-butyl-2-(4-pent-1-ynylphenyl)-1,3-dithiane Formula: C19H26S2 MolecularWeight: 318.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC=C(C=C1)C2SCC(CS2)C(C)(C)C

Isomeric SMILES

CCCC#CC1=CC=C(C=C1)C2SCC(CS2)C(C)(C)C

InChI

InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3