2-[bis(1-oxidanyl-4-phenoxy-hexadecan-2-yl)amino]-4-phenoxy-hexadecan-1-ol

Systemtic Name: 2-[bis(1-oxidanyl-4-phenoxy-hexadecan-2-yl)amino]-4-phenoxy-hexadecan-1-ol Openeye Name: 2-[bis[1-(hydroxymethyl)-3-phenoxy-pentadecyl]amino]-4-phenoxy-hexadecan-1-ol CAS Name: 2-[bis(1-hydroxy-4-phenoxyhexadecan-2-yl)amino]-4-phenoxy-1-hexadecanol IUPAC Name: 2-[bis(1-hydroxy-4-phenoxyhexadecan-2-yl)amino]-4-phenoxyhexadecan-1-ol Traditional Name: 2-[bis(1-methylol-3-phenoxy-pentadecyl)amino]-4-phenoxy-hexadecan-1-ol Formula: C66H111NO6 MolecularWeight: 1014.59064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(CO)N(C(CC(CCCCCCCCCCCC)OC1=CC=CC=C1)CO)C(CC(CCCCCCCCCCCC)OC2=CC=CC=C2)CO)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(CC(CO)N(C(CC(CCCCCCCCCCCC)OC1=CC=CC=C1)CO)C(CC(CCCCCCCCCCCC)OC2=CC=CC=C2)CO)OC3=CC=CC=C3

InChI

InChI=1S/C66H111NO6/c1-4-7-10-13-16-19-22-25-28-34-49-64(71-61-43-37-31-38-44-61)52-58(55-68)67(59(56-69)53-65(72-62-45-39-32-40-46-62)50-35-29-26-23-20-17-14-11-8-5-2)60(57-70)54-66(73-63-47-41-33-42-48-63)51-36-30-27-24-21-18-15-12-9-6-3/h31-33,37-48,58-60,64-66,68-70H,4-30,34-36,49-57H2,1-3H3