6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid CAS Name: 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthoic acid Formula: C28H26O4 MolecularWeight: 426.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C5C(=CC(=C4)C6=CC7=C(C=C6)C=C(C=C7)C(=O)O)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C5C(=CC(=C4)C6=CC7=C(C=C6)C=C(C=C7)C(=O)O)OCO5

InChI

InChI=1S/C28H26O4/c29-27(30)22-4-3-19-8-21(2-1-20(19)9-22)23-10-24(26-25(11-23)31-15-32-26)28-12-16-5-17(13-28)7-18(6-16)14-28/h1-4,8-11,16-18H,5-7,12-15H2,(H,29,30)