(E)-3-[4-(3,5-ditert-butylphenyl)-1-benzothiophen-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-[4-(3,5-ditert-butylphenyl)-1-benzothiophen-2-yl]but-2-enoic acid Openeye Name: (E)-3-[4-(3,5-ditert-butylphenyl)benzothiophen-2-yl]but-2-enoic acid CAS Name: (E)-3-[4-(3,5-ditert-butylphenyl)-1-benzothiophen-2-yl]-2-butenoic acid IUPAC Name: (E)-3-[4-(3,5-ditert-butylphenyl)-1-benzothiophen-2-yl]but-2-enoic acid Traditional Name: (E)-3-[4-(3,5-ditert-butylphenyl)benzothiophen-2-yl]but-2-enoic acid Formula: C26H30O2S MolecularWeight: 406.5802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC2=C(C=CC=C2S1)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

C/C(=C\C(=O)O)/C1=CC2=C(C=CC=C2S1)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C26H30O2S/c1-16(11-24(27)28)23-15-21-20(9-8-10-22(21)29-23)17-12-18(25(2,3)4)14-19(13-17)26(5,6)7/h8-15H,1-7H3,(H,27,28)/b16-11+