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Substance Name: Phytofluene
RN: 540-05-6
UNII: 6NUO4W7YQ6
InChIKey: OVSVTCFNLSGAMM-OUOOUFEBSA-N

Molecular Formula

  • C40-H62

Molecular Weight

  • 542.93
 
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Names and Synonyms

Name of Substance

  • Phytofluene

Synonym

  • UNII-6NUO4W7YQ6

Systematic Name

  • psi,psi-Carotene, 7,7',8,8',11,12-hexahydro-

Registry Numbers

CAS Registry Number

  • 540-05-6

FDA UNII

  • 6NUO4W7YQ6

System Generated Number

  • 0000540056

Structure Descriptors

InChI

1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

InChIKey

OVSVTCFNLSGAMM-OUOOUFEBSA-N

Smiles

C(=C\C(=C\C=C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(/C)C)C)C)C)C)\C=C(\CC\C=C(\CC\C=C(/C)C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 18.41 (none)   EST
Atmospheric OH Rate Constant 5.50E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.