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

Systemtic Name: 2-[3-tert-butyl-4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane Openeye Name: 2-[3-tert-butyl-4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane CAS Name: 2-[3-tert-butyl-4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane IUPAC Name: 2-[3-tert-butyl-4-(3-methoxyprop-1-ynyl)phenyl]-1,3-dithiane Traditional Name: 2-[3-tert-butyl-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=C(C=CC(=C1)C2SCCCS2)C#CCOC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2SCCCS2)C#CCOC

InChI

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