methyl 4-[7-(1-adamantyl)-1-(6-oxidanyloctoxy)naphthalen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-1-(6-oxidanyloctoxy)naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-1-(6-hydroxyoctoxy)-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-1-(6-hydroxyoctoxy)-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-1-(6-hydroxyoctoxy)naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-1-(6-hydroxyoctoxy)-2-naphthyl]benzoic acid methyl ester Formula: C36H44O4 MolecularWeight: 540.73216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C(=O)OC)O

Isomeric SMILES

CCC(CCCCCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C(=O)OC)O

InChI

InChI=1S/C36H44O4/c1-3-31(37)7-5-4-6-16-40-34-32(27-8-10-29(11-9-27)35(38)39-2)15-13-28-12-14-30(20-33(28)34)36-21-24-17-25(22-36)19-26(18-24)23-36/h8-15,20,24-26,31,37H,3-7,16-19,21-23H2,1-2H3