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1-(2-hexadecylphenyl)icosane-2,3,4-triol

1-(2-hexadecylphenyl)icosane-2,3,4-triol

Systemtic Name:1-(2-hexadecylphenyl)icosane-2,3,4-triol
Openeye Name:1-(2-hexadecylphenyl)icosane-2,3,4-triol
CAS Name:1-(2-hexadecylphenyl)eicosane-2,3,4-triol
IUPAC Name:1-(2-hexadecylphenyl)icosane-2,3,4-triol
Traditional Name:1-(2-cetylphenyl)eicosane-2,3,4-triol
Formula: C42H78O3
MolecularWeight: 631.06692
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1CC(C(C(CCCCCCCCCCCCCCCC)O)O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1CC(C(C(CCCCCCCCCCCCCCCC)O)O)O


InChI

InChI=1S/C42H78O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-38-34-31-32-35-39(38)37-41(44)42(45)40(43)36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34-35,40-45H,3-30,33,36-37H2,1-2H3


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