Xylenol Orange

CAS Registry Number®

1611-35-4

CAS Name

Xylenol Orange

Molecular Formula

C31H32N2O13S

Molecular Mass

672.66

Cite this Page

Xylenol Orange.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1611-35-4 (retrieved 2024-11-25) (CAS RN: 1611-35-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)

InChIKey

InChIKey=ORZHVTYKPFFVMG-UHFFFAOYSA-N

SMILES

O=S1(=O)OC(C=2C1=CC=CC2)(C3=CC(CN(CC(O)=O)CC(O)=O)=C(O)C(C)=C3)C4=CC(CN(CC(O)=O)CC(O)=O)=C(O)C(C)=C4

Canonical SMILES

O=C(O)CN(CC(=O)O)CC=1C=C(C=C(C1O)C)C2(OS(=O)(=O)C=3C=CC=CC32)C=4C=C(C(O)=C(C4)CN(CC(=O)O)CC(=O)O)C

Other Names for this Substance

  • Glycine, N,N′-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
  • Acetic acid, [3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-, S,S-dioxide
  • Glycine, N,N′-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, S,S-dioxide
  • Acetic acid, [(α-hydroxy-o-sulfobenzylidene)bis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-, γ-sultone
  • Phenolsulfonephthalein, 3′,3′′-bis[[bis(carboxymethyl)amino]methyl]-5′,5′′-dimethyl-

View All

Deleted or Replaced CAS Registry Numbers

6905-79-9, 59764-31-7, 3117-46-2

CAS INSIGHTSTM
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