3-bromanyl-9,10-didodecoxy-6-methyl-phenanthrene

Systemtic Name: 3-bromanyl-9,10-didodecoxy-6-methyl-phenanthrene Openeye Name: 3-bromo-9,10-didodecoxy-6-methyl-phenanthrene CAS Name: 3-bromo-9,10-didodecoxy-6-methylphenanthrene IUPAC Name: 3-bromo-9,10-didodecoxy-6-methylphenanthrene Traditional Name: 3-bromo-9,10-dilauryloxy-6-methyl-phenanthrene Formula: C39H59BrO2 MolecularWeight: 639.78856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)C)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)C)OCCCCCCCCCCCC

InChI

InChI=1S/C39H59BrO2/c1-4-6-8-10-12-14-16-18-20-22-28-41-38-34-26-24-32(3)30-36(34)37-31-33(40)25-27-35(37)39(38)42-29-23-21-19-17-15-13-11-9-7-5-2/h24-27,30-31H,4-23,28-29H2,1-3H3