7-butoxy-1-fluoranyl-2-octoxy-phenanthrene

Systemtic Name: 7-butoxy-1-fluoranyl-2-octoxy-phenanthrene Openeye Name: 7-butoxy-1-fluoro-2-octoxy-phenanthrene CAS Name: 7-butoxy-1-fluoro-2-octoxyphenanthrene IUPAC Name: 7-butoxy-1-fluoro-2-octoxyphenanthrene Traditional Name: 7-butoxy-1-fluoro-2-octoxy-phenanthrene Formula: C26H33FO2 MolecularWeight: 396.537423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C1)C3=C(C=C2)C=C(C=C3)OCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C1)C3=C(C=C2)C=C(C=C3)OCCCC)F

InChI

InChI=1S/C26H33FO2/c1-3-5-7-8-9-10-18-29-25-16-15-23-22-14-12-21(28-17-6-4-2)19-20(22)11-13-24(23)26(25)27/h11-16,19H,3-10,17-18H2,1-2H3