5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]pent-4-ynoic acid

Systemtic Name: 5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]pent-4-ynoic acid Openeye Name: 5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]pent-4-ynoic acid CAS Name: 5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-4-pentynoic acid IUPAC Name: 5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]pent-4-ynoic acid Traditional Name: 5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]pent-4-ynoic acid Formula: C19H24O2S2 MolecularWeight: 348.52266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)