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phenyl 2,3-ditert-butyl-2-oxidanyl-henicosanoate

phenyl 2,3-ditert-butyl-2-oxidanyl-henicosanoate

Systemtic Name:phenyl 2,3-ditert-butyl-2-oxidanyl-henicosanoate
Openeye Name:phenyl 2,3-ditert-butyl-2-hydroxy-henicosanoate
CAS Name:2,3-ditert-butyl-2-hydroxyheneicosanoic acid phenyl ester
IUPAC Name:phenyl 2,3-ditert-butyl-2-hydroxyhenicosanoate
Traditional Name:2,3-ditert-butyl-2-hydroxy-heneicosanoic acid phenyl ester
Formula: C35H62O3
MolecularWeight: 530.86498
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C)(C)C)C(C(=O)OC1=CC=CC=C1)(C(C)(C)C)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(C)(C)C)C(C(=O)OC1=CC=CC=C1)(C(C)(C)C)O


InChI

InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(33(2,3)4)35(37,34(5,6)7)32(36)38-30-27-24-23-25-28-30/h23-25,27-28,31,37H,8-22,26,29H2,1-7H3


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