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Substance Name: Tachysterol 4-methyl-3,5-dinitrobenzoate
RN: 6024-60-8
UNII: J297814V3C
InChIKey: TUNDAGPFKZHDGR-DDIZODPVSA-N

Molecular Formula

  • C36-H48-N2-O6

Molecular Weight

  • 604.7832
 
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Names and Synonyms

Name of Substance

  • Tachysterol 4-methyl-3,5-dinitrobenzoate

Synonyms

  • 9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol, 4-methyl-3,5-dinitrobenzoate, (3beta,6E,22E)-
  • p-Toluic acid, 3,5-dinitro-, ester with tachysterol
  • Tachysterol 4-methyl-3,5-dinitrobenzoate
  • Tachysterol 4-methyl-3,5-dinitrobenzoate [mi]
  • Tachysterol2, 3,5-dinitro-p-toluate
  • UNII-J297814V3C

Registry Numbers

CAS Registry Number

  • 6024-60-8

FDA UNII

  • J297814V3C

System Generated Number

  • 0006024608

Structure Descriptors

InChI

1S/C36H48N2O6/c1-22(2)23(3)10-11-25(5)31-16-17-32-27(9-8-18-36(31,32)7)13-14-28-19-30(15-12-24(28)4)44-35(39)29-20-33(37(40)41)26(6)34(21-29)38(42)43/h9-11,13-14,20-23,25,30-32H,8,12,15-19H2,1-7H3/b11-10+,14-13+/t23-,25+,30-,31+,32-,36+/m0/s1

InChIKey

TUNDAGPFKZHDGR-DDIZODPVSA-N

Smiles

Cc1c(cc(cc1[N+](=O)[O-])C(=O)O[C@H]2CCC(=C(C2)/C=C/C3=CCC[C@]4([C@H]3CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C)C)[N+](=O)[O-]