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Substance Name: Benzoic acid, 2-hydroxy-3-methyl-, reaction products with 4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid, 6-amino-4-hydroxy-2-naphthalenesulfonic acid and 2,2'-(1,2-ethenediyl)bis(5-aminobenzenesulfonic acid)
RN: 94825-60-2
InChIKey: ALLMXALYDNAPFR-YOTINIEPSA-N

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA UVCB

Molecular Formula

  • C14-H14-N2-O6-S2.C10-H9-N-O7-S2.C10-H9-N-O4-S.C8-H8-O3

Molecular Weight

  • 1081.12
 
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Names and Synonyms

  • Benzoic acid, 2-hydroxy-3-methyl-, reaction products with 4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid, 6-amino-4-hydroxy-2-naphthalenesulfonic acid and 2,2'-(1,2-ethenediyl)bis(5-aminobenzenesulfonic acid)

Registry Numbers

CAS Registry Number

  • 94825-60-2

System Generated Number

  • 0094825602

Molecular Formulas

Molecular Formula

  • C14-H14-N2-O6-S2.C10-H9-N-O7-S2.C10-H9-N-O4-S.C8-H8-O3

Molecular Formula Fragments

  • C10-H9-N-O4-S
  • C10-H9-N-O7-S2
  • C14-H14-N2-O6-S2
  • C8-H8-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C14H14N2O6S2.C10H9NO7S2.C10H9NO4S.C8H8O3/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;1-5-3-2-4-6(7(5)9)8(10)11/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);1-4,12H,11H2,(H,13,14,15)(H,16,17,18);1-5,12H,11H2,(H,13,14,15);2-4,9H,1H3,(H,10,11)/b2-1+;;;

InChIKey

ALLMXALYDNAPFR-YOTINIEPSA-N

Smiles

C(=C\c1c(cc(cc1)N)S(=O)(=O)O)\c1c(cc(cc1)N)S(=O)(=O)O.c1c2ccc(cc2c(O)cc1S(=O)(=O)O)N.c1c(cc(c2c(cc(cc12)S(=O)(=O)O)O)N)S(=O)(=O)O.C(c1c(c(ccc1)C)O)(=O)O