3-[5-(3-tert-butyl-4-methoxy-phenyl)thiophen-2-yl]prop-2-ynoic acid

Systemtic Name: 3-[5-(3-tert-butyl-4-methoxy-phenyl)thiophen-2-yl]prop-2-ynoic acid Openeye Name: 3-[5-(3-tert-butyl-4-methoxy-phenyl)-2-thienyl]prop-2-ynoic acid CAS Name: 3-[5-(3-tert-butyl-4-methoxyphenyl)-2-thiophenyl]-2-propynoic acid IUPAC Name: 3-[5-(3-tert-butyl-4-methoxyphenyl)thiophen-2-yl]prop-2-ynoic acid Traditional Name: 3-[5-(3-tert-butyl-4-methoxy-phenyl)-2-thienyl]propiolic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2=CC=C(S2)C#CC(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=CC=C(S2)C#CC(=O)O)OC

InChI

InChI=1S/C18H18O3S/c1-18(2,3)14-11-12(5-8-15(14)21-4)16-9-6-13(22-16)7-10-17(19)20/h5-6,8-9,11H,1-4H3,(H,19,20)