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

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-(6-oxidanylidenehex-5-enoxy)naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-(6-oxohex-5-enoxy)-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-(6-oxohex-5-enoxy)-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-(6-oxohex-5-enoxy)naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-(6-ketohex-5-enoxy)-2-naphthyl]benzoic acid methyl ester Formula: C34H36O4 MolecularWeight: 508.64724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OCCCCC=C=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OCCCCC=C=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H36O4/c1-37-33(36)27-8-6-26(7-9-27)28-10-11-29-19-32(38-13-5-3-2-4-12-35)31(18-30(29)17-28)34-20-23-14-24(21-34)16-25(15-23)22-34/h4,6-11,17-19,23-25H,2-3,5,13-16,20-22H2,1H3