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

Systemtic Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynoic acid Openeye Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynoic acid CAS Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-3-butynoic acid IUPAC Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynoic acid Traditional Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynoic acid Formula: C18H22O2S2 MolecularWeight: 334.49608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)