6-bromanyl-1-(3,7-dimethyloctoxy)-3-methyl-phenanthrene

Systemtic Name: 6-bromanyl-1-(3,7-dimethyloctoxy)-3-methyl-phenanthrene Openeye Name: 6-bromo-1-(3,7-dimethyloctoxy)-3-methyl-phenanthrene CAS Name: 6-bromo-1-(3,7-dimethyloctoxy)-3-methylphenanthrene IUPAC Name: 6-bromo-1-(3,7-dimethyloctoxy)-3-methylphenanthrene Traditional Name: 6-bromo-1-(3,7-dimethyloctoxy)-3-methyl-phenanthrene Formula: C25H31BrO MolecularWeight: 427.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC3=C(C2=C1)C=C(C=C3)Br)OCCC(C)CCCC(C)C

Isomeric SMILES

CC1=CC(=C2C=CC3=C(C2=C1)C=C(C=C3)Br)OCCC(C)CCCC(C)C

InChI

InChI=1S/C25H31BrO/c1-17(2)6-5-7-18(3)12-13-27-25-15-19(4)14-24-22(25)11-9-20-8-10-21(26)16-23(20)24/h8-11,14-18H,5-7,12-13H2,1-4H3