2-[3-(1-adamantyl)-4-methoxy-phenyl]-1-benzothiophene-6-carboxylic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]-1-benzothiophene-6-carboxylic acid Openeye Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]benzothiophene-6-carboxylic acid CAS Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]-1-benzothiophene-6-carboxylic acid Traditional Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]benzothiophene-6-carboxylic acid Formula: C26H26O3S MolecularWeight: 418.54784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(S2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(S2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H26O3S/c1-29-22-5-4-18(23-10-19-2-3-20(25(27)28)11-24(19)30-23)9-21(22)26-12-15-6-16(13-26)8-17(7-15)14-26/h2-5,9-11,15-17H,6-8,12-14H2,1H3,(H,27,28)