1-[2-[3,4-bis(oxidanyl)phenoxy]ethyl]-3-(3-octadecan-3-ylsulfanylpropyl)urea

Systemtic Name: 1-[2-[3,4-bis(oxidanyl)phenoxy]ethyl]-3-(3-octadecan-3-ylsulfanylpropyl)urea Openeye Name: 1-[2-(3,4-dihydroxyphenoxy)ethyl]-3-[3-(1-ethylhexadecylsulfanyl)propyl]urea CAS Name: 1-[2-(3,4-dihydroxyphenoxy)ethyl]-3-[3-(octadecan-3-ylthio)propyl]urea IUPAC Name: 1-[2-(3,4-dihydroxyphenoxy)ethyl]-3-(3-octadecan-3-ylsulfanylpropyl)urea Traditional Name: 1-[2-(3,4-dihydroxyphenoxy)ethyl]-3-[3-(1-ethylhexadecylthio)propyl]urea Formula: C30H54N2O4S MolecularWeight: 538.82576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)SCCCNC(=O)NCCOC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)SCCCNC(=O)NCCOC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C30H54N2O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-27(4-2)37-24-17-21-31-30(35)32-22-23-36-26-19-20-28(33)29(34)25-26/h19-20,25,27,33-34H,3-18,21-24H2,1-2H3,(H2,31,32,35)