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

Systemtic Name: (E)-3-[4-(3,5-ditert-butyl-2-methyl-phenyl)-1-benzothiophen-2-yl]but-2-enoic acid Openeye Name: (E)-3-[4-(3,5-ditert-butyl-2-methyl-phenyl)benzothiophen-2-yl]but-2-enoic acid CAS Name: (E)-3-[4-(3,5-ditert-butyl-2-methylphenyl)-1-benzothiophen-2-yl]-2-butenoic acid IUPAC Name: (E)-3-[4-(3,5-ditert-butyl-2-methylphenyl)-1-benzothiophen-2-yl]but-2-enoic acid Traditional Name: (E)-3-[4-(3,5-ditert-butyl-2-methyl-phenyl)benzothiophen-2-yl]but-2-enoic acid Formula: C27H32O2S MolecularWeight: 420.60678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=C3C=C(SC3=CC=C2)C(=CC(=O)O)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1C2=C3C=C(SC3=CC=C2)/C(=C/C(=O)O)/C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C27H32O2S/c1-16(12-25(28)29)24-15-21-19(10-9-11-23(21)30-24)20-13-18(26(3,4)5)14-22(17(20)2)27(6,7)8/h9-15H,1-8H3,(H,28,29)/b16-12+