1-octadecyl-3-pyren-1-yl-urea

Systemtic Name: 1-octadecyl-3-pyren-1-yl-urea Openeye Name: 1-octadecyl-3-pyren-1-yl-urea CAS Name: 1-octadecyl-3-(1-pyrenyl)urea IUPAC Name: 1-octadecyl-3-pyren-1-ylurea Traditional Name: 1-pyren-1-yl-3-stearyl-urea Formula: C35H48N2O MolecularWeight: 512.76842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C35H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-36-35(38)37-32-26-24-30-22-21-28-19-18-20-29-23-25-31(32)34(30)33(28)29/h18-26H,2-17,27H2,1H3,(H2,36,37,38)