4-[7-(1-adamantyl)-6-(6-oxidanylidenehex-5-enoxy)naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-(6-oxidanylidenehex-5-enoxy)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(6-oxohex-5-enoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(6-oxohex-5-enoxy)-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(6-oxohex-5-enoxy)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(6-ketohex-5-enoxy)-2-naphthyl]benzoic acid Formula: C33H34O4 MolecularWeight: 494.62066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)OCCCCC=C=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)OCCCCC=C=O

InChI

InChI=1S/C33H34O4/c34-11-3-1-2-4-12-37-31-18-28-10-9-27(25-5-7-26(8-6-25)32(35)36)16-29(28)17-30(31)33-19-22-13-23(20-33)15-24(14-22)21-33/h3,5-10,16-18,22-24H,1-2,4,12-15,19-21H2,(H,35,36)