3-(1-adamantyl)-2-(4-hydroxyphenyl)-1-benzothiophene-6-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-2-(4-hydroxyphenyl)-1-benzothiophene-6-carboxylic acid Openeye Name: 3-(1-adamantyl)-2-(4-hydroxyphenyl)benzothiophene-6-carboxylic acid CAS Name: 3-(1-adamantyl)-2-(4-hydroxyphenyl)-1-benzothiophene-6-carboxylic acid IUPAC Name: 3-(1-adamantyl)-2-(4-hydroxyphenyl)-1-benzothiophene-6-carboxylic acid Traditional Name: 3-(1-adamantyl)-2-(4-hydroxyphenyl)benzothiophene-6-carboxylic acid Formula: C25H24O3S MolecularWeight: 404.52126

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(SC5=C4C=CC(=C5)C(=O)O)C6=CC=C(C=C6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(SC5=C4C=CC(=C5)C(=O)O)C6=CC=C(C=C6)O

InChI

InChI=1S/C25H24O3S/c26-19-4-1-17(2-5-19)23-22(20-6-3-18(24(27)28)10-21(20)29-23)25-11-14-7-15(12-25)9-16(8-14)13-25/h1-6,10,14-16,26H,7-9,11-13H2,(H,27,28)