[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl] prop-2-ynoate

Systemtic Name: [4-(5-tert-butyl-1,3-dithian-2-yl)phenyl] prop-2-ynoate Openeye Name: [4-(5-tert-butyl-1,3-dithian-2-yl)phenyl] prop-2-ynoate CAS Name: 2-propynoic acid [4-(5-tert-butyl-1,3-dithian-2-yl)phenyl] ester IUPAC Name: [4-(5-tert-butyl-1,3-dithian-2-yl)phenyl] prop-2-ynoate Traditional Name: propiolic acid [4-(5-tert-butyl-1,3-dithian-2-yl)phenyl] ester Formula: C17H20O2S2 MolecularWeight: 320.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)OC(=O)C#C

Isomeric SMILES

CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)OC(=O)C#C

InChI

InChI=1S/C17H20O2S2/c1-5-15(18)19-14-8-6-12(7-9-14)16-20-10-13(11-21-16)17(2,3)4/h1,6-9,13,16H,10-11H2,2-4H3