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

Systemtic Name: methyl 4-[7-(1-adamantyl)-1-hexoxy-6-oxidanyl-naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-1-hexoxy-6-hydroxy-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-1-hexoxy-6-hydroxy-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-1-hexoxy-6-hydroxynaphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-1-hexoxy-6-hydroxy-2-naphthyl]benzoic acid methyl ester Formula: C34H40O4 MolecularWeight: 512.679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)O)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CCCCCCOC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)O)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C34H40O4/c1-3-4-5-6-13-38-32-28(25-7-9-26(10-8-25)33(36)37-2)12-11-27-17-31(35)30(18-29(27)32)34-19-22-14-23(20-34)16-24(15-22)21-34/h7-12,17-18,22-24,35H,3-6,13-16,19-21H2,1-2H3