3-hexadecyl-1-phenyl-icosane-2,3,4-triol

Systemtic Name: 3-hexadecyl-1-phenyl-icosane-2,3,4-triol Openeye Name: 3-hexadecyl-1-phenyl-icosane-2,3,4-triol CAS Name: 3-hexadecyl-1-phenyleicosane-2,3,4-triol IUPAC Name: 3-hexadecyl-1-phenylicosane-2,3,4-triol Traditional Name: 3-cetyl-1-phenyl-eicosane-2,3,4-triol Formula: C42H78O3 MolecularWeight: 631.06692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCC)(C(CC1=CC=CC=C1)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCC)(C(CC1=CC=CC=C1)O)O)O

InChI

InChI=1S/C42H78O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-40(43)42(45,41(44)38-39-34-30-29-31-35-39)37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,40-41,43-45H,3-28,32-33,36-38H2,1-2H3