2,2,6-trimethyl-4-naphthalen-2-yl-7-[2-(3-oxidanyl-1-adamantyl)propan-2-yloxy]-7-oxidanylidene-heptanoic acid

Systemtic Name: 2,2,6-trimethyl-4-naphthalen-2-yl-7-[2-(3-oxidanyl-1-adamantyl)propan-2-yloxy]-7-oxidanylidene-heptanoic acid Openeye Name: 7-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethoxy]-2,2,6-trimethyl-4-(2-naphthyl)-7-oxo-heptanoic acid CAS Name: 7-[2-(3-hydroxy-1-adamantyl)propan-2-yloxy]-2,2,6-trimethyl-4-(2-naphthalenyl)-7-oxoheptanoic acid IUPAC Name: 7-[2-(3-hydroxy-1-adamantyl)propan-2-yloxy]-2,2,6-trimethyl-4-naphthalen-2-yl-7-oxoheptanoic acid Traditional Name: 7-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethoxy]-7-keto-2,2,6-trimethyl-4-(2-naphthyl)enanthic acid Formula: C33H44O5 MolecularWeight: 520.69946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C)(C)C(=O)O)C1=CC2=CC=CC=C2C=C1)C(=O)OC(C)(C)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC(CC(CC(C)(C)C(=O)O)C1=CC2=CC=CC=C2C=C1)C(=O)OC(C)(C)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C33H44O5/c1-21(28(34)38-31(4,5)32-15-22-13-23(16-32)18-33(37,17-22)20-32)12-27(19-30(2,3)29(35)36)26-11-10-24-8-6-7-9-25(24)14-26/h6-11,14,21-23,27,37H,12-13,15-20H2,1-5H3,(H,35,36)