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

Systemtic Name: 4-[7-(1-adamantyl)-6-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)oxy-naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(1-carboxypentoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(1-hydroxy-1-oxohexan-2-yl)oxy-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(1-hydroxy-1-oxohexan-2-yl)oxynaphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(1-carboxypentoxy)-2-naphthyl]benzoic acid Formula: C33H36O5 MolecularWeight: 512.63594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(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

CCCCC(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/C33H36O5/c1-2-3-4-29(32(36)37)38-30-16-26-10-9-25(23-5-7-24(8-6-23)31(34)35)14-27(26)15-28(30)33-17-20-11-21(18-33)13-22(12-20)19-33/h5-10,14-16,20-22,29H,2-4,11-13,17-19H2,1H3,(H,34,35)(H,36,37)