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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC=C(C2=CC3=CC=CC=C3S2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C/C=C(/C2=CC3=CC=CC=C3S2)\C(=O)O)C(C)(C)C

InChI

InChI=1S/C26H30O2S/c1-25(2,3)19-13-17(14-20(16-19)26(4,5)6)11-12-21(24(27)28)23-15-18-9-7-8-10-22(18)29-23/h7-10,12-16H,11H2,1-6H3,(H,27,28)/b21-12-