2-azanyl-1-(6-bromanylphenanthren-9-yl)-2-heptyl-nonan-1-ol

Systemtic Name: 2-azanyl-1-(6-bromanylphenanthren-9-yl)-2-heptyl-nonan-1-ol Openeye Name: 2-amino-1-(6-bromo-9-phenanthryl)-2-heptyl-nonan-1-ol CAS Name: 2-amino-1-(6-bromo-9-phenanthrenyl)-2-heptyl-1-nonanol IUPAC Name: 2-amino-1-(6-bromophenanthren-9-yl)-2-heptylnonan-1-ol Traditional Name: 2-amino-1-(6-bromo-9-phenanthryl)-2-heptyl-nonan-1-ol Formula: C30H42BrNO MolecularWeight: 512.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCCCC)(C(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)O)N

Isomeric SMILES

CCCCCCCC(CCCCCCC)(C(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)O)N

InChI

InChI=1S/C30H42BrNO/c1-3-5-7-9-13-19-30(32,20-14-10-8-6-4-2)29(33)28-21-23-15-11-12-16-25(23)27-22-24(31)17-18-26(27)28/h11-12,15-18,21-22,29,33H,3-10,13-14,19-20,32H2,1-2H3