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

Systemtic Name: methyl 4-[7-(1-adamantyl)-1-ethyl-6-oxidanyl-naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-1-ethyl-6-hydroxy-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-1-ethyl-6-hydroxy-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-1-ethyl-6-hydroxynaphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-1-ethyl-6-hydroxy-2-naphthyl]benzoic acid methyl ester Formula: C30H32O3 MolecularWeight: 440.57328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)O)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)O)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C30H32O3/c1-3-24-25(21-4-6-22(7-5-21)29(32)33-2)9-8-23-13-28(31)27(14-26(23)24)30-15-18-10-19(16-30)12-20(11-18)17-30/h4-9,13-14,18-20,31H,3,10-12,15-17H2,1-2H3