9,10-bis(6-hexylnaphthalen-2-yl)-2-(3-methoxy-2-methyl-propoxy)-6-octoxy-anthracene

Systemtic Name: 9,10-bis(6-hexylnaphthalen-2-yl)-2-(3-methoxy-2-methyl-propoxy)-6-octoxy-anthracene Openeye Name: 9,10-bis(6-hexyl-2-naphthyl)-2-(3-methoxy-2-methyl-propoxy)-6-octoxy-anthracene CAS Name: 9,10-bis(6-hexyl-2-naphthalenyl)-2-(3-methoxy-2-methylpropoxy)-6-octoxyanthracene IUPAC Name: 9,10-bis(6-hexylnaphthalen-2-yl)-2-(3-methoxy-2-methylpropoxy)-6-octoxyanthracene Traditional Name: 9,10-bis(6-hexyl-2-naphthyl)-2-(3-methoxy-2-methyl-propoxy)-6-octoxy-anthracene Formula: C59H72O3 MolecularWeight: 829.20118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C(=C3C=C(C=CC3=C2C4=CC5=C(C=C4)C=C(C=C5)CCCCCC)OCC(C)COC)C6=CC7=C(C=C6)C=C(C=C7)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C(=C3C=C(C=CC3=C2C4=CC5=C(C=C4)C=C(C=C5)CCCCCC)OCC(C)COC)C6=CC7=C(C=C6)C=C(C=C7)CCCCCC

InChI

InChI=1S/C59H72O3/c1-6-9-12-15-16-19-34-61-52-30-32-54-56(39-52)58(50-28-26-46-35-44(20-17-13-10-7-2)22-24-48(46)37-50)55-33-31-53(62-42-43(4)41-60-5)40-57(55)59(54)51-29-27-47-36-45(21-18-14-11-8-3)23-25-49(47)38-51/h22-33,35-40,43H,6-21,34,41-42H2,1-5H3