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

Systemtic Name: (E)-3-[4-[3,5-ditert-butyl-2-(2-methylpropoxy)phenyl]-1-benzothiophen-2-yl]but-2-enoic acid Openeye Name: (E)-3-[4-(3,5-ditert-butyl-2-isobutoxy-phenyl)benzothiophen-2-yl]but-2-enoic acid CAS Name: (E)-3-[4-[3,5-ditert-butyl-2-(2-methylpropoxy)phenyl]-1-benzothiophen-2-yl]-2-butenoic acid IUPAC Name: (E)-3-[4-[3,5-ditert-butyl-2-(2-methylpropoxy)phenyl]-1-benzothiophen-2-yl]but-2-enoic acid Traditional Name: (E)-3-[4-(3,5-ditert-butyl-2-isobutoxy-phenyl)benzothiophen-2-yl]but-2-enoic acid Formula: C30H38O3S MolecularWeight: 478.68592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=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

CC(C)COC1=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/C30H38O3S/c1-18(2)17-33-28-23(14-20(29(4,5)6)15-24(28)30(7,8)9)21-11-10-12-25-22(21)16-26(34-25)19(3)13-27(31)32/h10-16,18H,17H2,1-9H3,(H,31,32)/b19-13+