4-[[3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalen-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalen-2-yl]oxymethyl]benzoic acid CAS Name: 4-[[3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalen-2-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalen-2-yl]oxymethyl]benzoic acid Formula: C28H32O3 MolecularWeight: 416.55188

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C=C(C(=C2)OCC3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C=CCC2C1C=C(C(=C2)OCC3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32O3/c29-27(30)22-7-5-18(6-8-22)17-31-26-13-24-4-2-1-3-23(24)12-25(26)28-14-19-9-20(15-28)11-21(10-19)16-28/h1-2,5-8,12-13,19-21,23-24H,3-4,9-11,14-17H2,(H,29,30)