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

Systemtic Name: 1-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Openeye Name: 1-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid CAS Name: 1-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthalenecarboxylic acid IUPAC Name: 1-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Traditional Name: 1-[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=C(C=CC7=CC=CC=C76)C(=O)O)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C5C(=CC(=C4)C6=C(C=CC7=CC=CC=C76)C(=O)O)OCO5

InChI

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