5-[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl]thiophene-3-carboxylic acid

Systemtic Name: 5-[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl]thiophene-3-carboxylic acid Openeye Name: 5-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]thiophene-3-carboxylic acid CAS Name: 5-[7-(1-adamantyl)-6-hydroxy-2-naphthalenyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]thiophene-3-carboxylic acid Traditional Name: 5-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]-3-thenoic acid Formula: C25H24O3S MolecularWeight: 404.52126

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC(=CS6)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC(=CS6)C(=O)O)O

InChI

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