tris[4-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]phenyl]methanol

Systemtic Name: tris[4-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]phenyl]methanol Openeye Name: tris[4-[(E)-2-(3,4,5-trihexoxyphenyl)vinyl]phenyl]methanol CAS Name: tris[4-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]phenyl]methanol IUPAC Name: tris[4-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]phenyl]methanol Traditional Name: tris[4-[(E)-2-(3,4,5-trihexoxyphenyl)vinyl]phenyl]methanol Formula: C97H142O10 MolecularWeight: 1468.15938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=CC(=C1OCCCCCC)OCCCCCC)C=CC2=CC=C(C=C2)C(C3=CC=C(C=C3)C=CC4=CC(=C(C(=C4)OCCCCCC)OCCCCCC)OCCCCCC)(C5=CC=C(C=C5)C=CC6=CC(=C(C(=C6)OCCCCCC)OCCCCCC)OCCCCCC)O

Isomeric SMILES

CCCCCCOC1=CC(=CC(=C1OCCCCCC)OCCCCCC)/C=C/C2=CC=C(C=C2)C(O)(C3=CC=C(C=C3)/C=C/C4=CC(=C(C(=C4)OCCCCCC)OCCCCCC)OCCCCCC)C5=CC=C(C=C5)/C=C/C6=CC(=C(C(=C6)OCCCCCC)OCCCCCC)OCCCCCC

InChI

InChI=1S/C97H142O10/c1-10-19-28-37-64-99-88-73-82(74-89(100-65-38-29-20-11-2)94(88)105-70-43-34-25-16-7)49-46-79-52-58-85(59-53-79)97(98,86-60-54-80(55-61-86)47-50-83-75-90(101-66-39-30-21-12-3)95(106-71-44-35-26-17-8)91(76-83)102-67-40-31-22-13-4)87-62-56-81(57-63-87)48-51-84-77-92(103-68-41-32-23-14-5)96(107-72-45-36-27-18-9)93(78-84)104-69-42-33-24-15-6/h46-63,73-78,98H,10-45,64-72H2,1-9H3/b49-46+,50-47+,51-48+