2-[3-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophene-6-carboxylic acid

Systemtic Name: 2-[3-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophene-6-carboxylic acid Openeye Name: 2-[1-ethyl-1-[4-(2-ethyl-2-hydroxy-butoxy)-3-methyl-phenyl]propyl]benzothiophene-6-carboxylic acid CAS Name: 2-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-6-carboxylic acid Traditional Name: 2-[1-ethyl-1-[4-(2-ethyl-2-hydroxy-butoxy)-3-methyl-phenyl]propyl]benzothiophene-6-carboxylic acid Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(COC1=C(C=C(C=C1)C(CC)(CC)C2=CC3=C(S2)C=C(C=C3)C(=O)O)C)O

Isomeric SMILES

CCC(CC)(COC1=C(C=C(C=C1)C(CC)(CC)C2=CC3=C(S2)C=C(C=C3)C(=O)O)C)O

InChI

InChI=1S/C27H34O4S/c1-6-26(30,7-2)17-31-22-13-12-21(14-18(22)5)27(8-3,9-4)24-16-19-10-11-20(25(28)29)15-23(19)32-24/h10-16,30H,6-9,17H2,1-5H3,(H,28,29)