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Substance Name: 13-cis-12-(3'-Carboxyphenyl)retinoic acid
RN: 141948-79-0
UNII: Y8U3B6ZM8D
InChIKey: XKKDQOHDTASHCE-PAZAWXFKSA-N

Molecular Formula

  • C27-H32-O4

Molecular Weight

  • 420.5458
 
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Names and Synonyms

Name of Substance

  • 13-cis-12-(3'-Carboxyphenyl)retinoic acid

Synonyms

  • 13-cis-12-(3'-Carboxyphenyl)retinoic acid
  • 4-(3-Carboxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2Z,4E,6E,8E-nonatetraenoic acid
  • BMS-181162
  • UNII-Y8U3B6ZM8D

Systematic Name

  • Benzoic acid, 3-(1-(2-carboxy-1-methylethenyl)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl)-, (Z,E,E,E)-

Registry Numbers

CAS Registry Number

  • 141948-79-0

FDA UNII

  • Y8U3B6ZM8D

System Generated Number

  • 0141948790

Structure Descriptors

InChI

1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16-,23-13-

InChIKey

XKKDQOHDTASHCE-PAZAWXFKSA-N

Smiles

C\C(=C/C=C(/C(=C\C(=O)O)/C)\c1cccc(c1)C(=O)O)\C=C\C2=C(C)CCCC2(C)C