4-[7-(1-adamantyl)-6-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)oxy-naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)oxy-naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(1-carboxybutoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(1-hydroxy-1-oxopentan-2-yl)oxy-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(1-hydroxy-1-oxopentan-2-yl)oxynaphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(1-carboxybutoxy)-2-naphthyl]benzoic acid Formula: C32H34O5 MolecularWeight: 498.60936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCC(C(=O)O)OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H34O5/c1-2-3-28(31(35)36)37-29-15-25-9-8-24(22-4-6-23(7-5-22)30(33)34)13-26(25)14-27(29)32-16-19-10-20(17-32)12-21(11-19)18-32/h4-9,13-15,19-21,28H,2-3,10-12,16-18H2,1H3,(H,33,34)(H,35,36)