2-butoxy-1-fluoranyl-7-heptoxy-phenanthrene

Systemtic Name: 2-butoxy-1-fluoranyl-7-heptoxy-phenanthrene Openeye Name: 2-butoxy-1-fluoro-7-heptoxy-phenanthrene CAS Name: 2-butoxy-1-fluoro-7-heptoxyphenanthrene IUPAC Name: 2-butoxy-1-fluoro-7-heptoxyphenanthrene Traditional Name: 2-butoxy-1-fluoro-7-heptoxy-phenanthrene Formula: C25H31FO2 MolecularWeight: 382.510843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)OCCCC)F

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)OCCCC)F

InChI

InChI=1S/C25H31FO2/c1-3-5-7-8-9-17-27-20-11-13-21-19(18-20)10-12-23-22(21)14-15-24(25(23)26)28-16-6-4-2/h10-15,18H,3-9,16-17H2,1-2H3