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Substance Name: Octanoic acid, 2,2'-(sufinylbis(4,1-phenyleneoxy))bis-
RN: 63538-49-8
InChIKey: SNVZTBAQFJZTKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-O7-S

Molecular Weight

  • 518.6672
 
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Names and Synonyms

Synonyms

  • 2,2'-(Sufinylbis(4,1-phenyleneoxy))bisoctanoic acid
  • Acide sulfinyl-4,4' di(phenoxy-2 octanoique)
  • Acide sulfinyl-4,4' di(phenoxy-2 octanoique) [French]

Systematic Name

  • Octanoic acid, 2,2'-(sufinylbis(4,1-phenyleneoxy))bis-

Registry Numbers

CAS Registry Number

  • 63538-49-8

System Generated Number

  • 0063538498

Structure Descriptors

InChI

1S/C28H38O7S/c1-3-5-7-9-11-25(27(29)30)34-21-13-17-23(18-14-21)36(33)24-19-15-22(16-20-24)35-26(28(31)32)12-10-8-6-4-2/h13-20,25-26H,3-12H2,1-2H3,(H,29,30)(H,31,32)

InChIKey

SNVZTBAQFJZTKT-UHFFFAOYSA-N

Smiles

CCCCCCC(C(=O)O)Oc1ccc(cc1)S(=O)c2ccc(cc2)OC(CCCCCC)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2370726,