3-octadecoxy-2-(9-pyren-1-ylnonoxy)propan-1-ol

Systemtic Name: 3-octadecoxy-2-(9-pyren-1-ylnonoxy)propan-1-ol Openeye Name: 3-octadecoxy-2-(9-pyren-1-ylnonoxy)propan-1-ol CAS Name: 3-octadecoxy-2-[9-(1-pyrenyl)nonoxy]-1-propanol IUPAC Name: 3-octadecoxy-2-(9-pyren-1-ylnonoxy)propan-1-ol Traditional Name: 2-(9-pyren-1-ylnonoxy)-3-stearyloxy-propan-1-ol Formula: C46H70O3 MolecularWeight: 671.0462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C46H70O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-35-48-38-43(37-47)49-36-24-21-18-15-16-19-22-26-39-29-30-42-32-31-40-27-25-28-41-33-34-44(39)46(42)45(40)41/h25,27-34,43,47H,2-24,26,35-38H2,1H3