2-tert-butyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane

Systemtic Name: 2-tert-butyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane Openeye Name: 2-tert-butyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane CAS Name: 2-tert-butyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane IUPAC Name: 2-tert-butyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane Traditional Name: 2-tert-butyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane Formula: C18H24OS2 MolecularWeight: 320.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(SCCCS1)C2=CC=C(C=C2)C#CCOC

Isomeric SMILES

CC(C)(C)C1(SCCCS1)C2=CC=C(C=C2)C#CCOC

InChI

InChI=1S/C18H24OS2/c1-17(2,3)18(20-13-6-14-21-18)16-10-8-15(9-11-16)7-5-12-19-4/h8-11H,6,12-14H2,1-4H3