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Substance Name: Phytonadione, (E)-(+/-)-
RN: 79083-00-4
UNII: MLF3D1712D
InChIKey: MBWXNTAXLNYFJB-NKFFZRIASA-N

Molecular Formula

  • C31-H46-O2

Molecular Weight

  • 450.7024
 
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Names and Synonyms

Name of Substance

  • Phytonadione, (E)-(+/-)-

Synonyms

  • EINECS 279-052-3
  • UNII-MLF3D1712D

Systematic Name

  • (R*,R*-(E))-(1)-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone

Registry Numbers

CAS Registry Number

  • 79083-00-4

FDA UNII

  • MLF3D1712D

System Generated Number

  • 0079083004

Structure Descriptors

InChI

1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

InChIKey

MBWXNTAXLNYFJB-NKFFZRIASA-N

Smiles

CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C