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Substance Name: Tetrahydromenaquinone
RN: 49852-77-9
InChIKey: NXKRRNUXCLRIHG-GEJMRHPGSA-N

Molecular Weight

  • 789.2776
 
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Names and Synonyms

Name of Substance

  • Tetrahydromenaquinone

Systematic Name

  • 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15,19,23,27,31,35-nonamethyl-2,14,18,22,26,30,34-hexatriacontaheptaenyl)-, (all-E)-

Registry Numbers

CAS Registry Number

  • 49852-77-9

System Generated Number

  • 0049852779

Structure Descriptors

InChI

1S/C56H84O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,38-40,48-49H,14-21,23,25,27,29,31,33-37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,50-40+

InChIKey

NXKRRNUXCLRIHG-GEJMRHPGSA-N

Smiles

CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C