1-[2-[6-(2-heptanoyl-4-phenylmethoxy-phenyl)-5-hexa-1,3,5-triynoxy-1-hexoxy-naphthalen-2-yl]-5-phenylmethoxy-phenyl]heptan-1-one

Systemtic Name: 1-[2-[6-(2-heptanoyl-4-phenylmethoxy-phenyl)-5-hexa-1,3,5-triynoxy-1-hexoxy-naphthalen-2-yl]-5-phenylmethoxy-phenyl]heptan-1-one Openeye Name: 1-[5-benzyloxy-2-[6-(4-benzyloxy-2-heptanoyl-phenyl)-5-hexa-1,3,5-triynoxy-1-hexoxy-2-naphthyl]phenyl]heptan-1-one CAS Name: 1-[2-[5-hexa-1,3,5-triynoxy-1-hexoxy-6-[2-(1-oxoheptyl)-4-phenylmethoxyphenyl]-2-naphthalenyl]-5-phenylmethoxyphenyl]-1-heptanone IUPAC Name: 1-[2-[6-(2-heptanoyl-4-phenylmethoxyphenyl)-5-hexa-1,3,5-triynoxy-1-hexoxynaphthalen-2-yl]-5-phenylmethoxyphenyl]heptan-1-one Traditional Name: 1-[5-benzoxy-2-[6-(4-benzoxy-2-enanthyl-phenyl)-5-hexa-1,3,5-triynoxy-1-hexoxy-2-naphthyl]phenyl]heptan-1-one Formula: C62H64O6 MolecularWeight: 905.16796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=C(C=CC(=C1)OCC2=CC=CC=C2)C3=C(C4=C(C=C3)C(=C(C=C4)C5=C(C=C(C=C5)OCC6=CC=CC=C6)C(=O)CCCCCC)OC#CC#CC#C)OCCCCCC

Isomeric SMILES

CCCCCCC(=O)C1=C(C=CC(=C1)OCC2=CC=CC=C2)C3=C(C4=C(C=C3)C(=C(C=C4)C5=C(C=C(C=C5)OCC6=CC=CC=C6)C(=O)CCCCCC)OC#CC#CC#C)OCCCCCC

InChI

InChI=1S/C62H64O6/c1-5-9-13-23-31-59(63)57-43-49(67-45-47-27-19-17-20-28-47)33-35-51(57)53-37-39-56-55(61(53)65-41-25-15-11-7-3)40-38-54(62(56)66-42-26-16-12-8-4)52-36-34-50(68-46-48-29-21-18-22-30-48)44-58(52)60(64)32-24-14-10-6-2/h3,17-22,27-30,33-40,43-44H,5-6,8-10,12-14,16,23-24,26,31-32,42,45-46H2,1-2,4H3