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Reference substances

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Reference substance information

IUPAC name:
Jojoba (Simmondsia chinensis) seedoil Ester [C42:0]

Molecular and structural information

Molecular formula:
C42H84O2
Molecular weight:
ca. 620
SMILES notation:
O=C(CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCCCC
O=C(CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCC
O=C(CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCC
O=C(CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChl:
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
Structural formula:
Chemical structure