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13-[2,3-bis(fluoranyl)-4-phenyl-phenoxy]pentacosane-1,25-diol

13-[2,3-bis(fluoranyl)-4-phenyl-phenoxy]pentacosane-1,25-diol

Systemtic Name:13-[2,3-bis(fluoranyl)-4-phenyl-phenoxy]pentacosane-1,25-diol
Openeye Name:13-(2,3-difluoro-4-phenyl-phenoxy)pentacosane-1,25-diol
CAS Name:13-(2,3-difluoro-4-phenylphenoxy)pentacosane-1,25-diol
IUPAC Name:13-(2,3-difluoro-4-phenylphenoxy)pentacosane-1,25-diol
Traditional Name:13-(2,3-difluoro-4-phenyl-phenoxy)pentacosane-1,25-diol
Formula: C37H58F2O3
MolecularWeight: 588.851426
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(CCCCCCCCCCCCO)CCCCCCCCCCCCO)F)F


Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(CCCCCCCCCCCCO)CCCCCCCCCCCCO)F)F


InChI

InChI=1S/C37H58F2O3/c38-36-34(32-24-18-17-19-25-32)28-29-35(37(36)39)42-33(26-20-13-9-5-1-3-7-11-15-22-30-40)27-21-14-10-6-2-4-8-12-16-23-31-41/h17-19,24-25,28-29,33,40-41H,1-16,20-23,26-27,30-31H2


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