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

Systemtic Name: methyl 4-[7-(1-adamantyl)-1-(6-oxidanylheptoxy)naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-1-(6-hydroxyheptoxy)-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-1-(6-hydroxyheptoxy)-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-1-(6-hydroxyheptoxy)naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-1-(6-hydroxyheptoxy)-2-naphthyl]benzoic acid methyl ester Formula: C35H42O4 MolecularWeight: 526.70558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C35H42O4/c1-23(36)6-4-3-5-15-39-33-31(27-7-9-29(10-8-27)34(37)38-2)14-12-28-11-13-30(19-32(28)33)35-20-24-16-25(21-35)18-26(17-24)22-35/h7-14,19,23-26,36H,3-6,15-18,20-22H2,1-2H3