Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, sodium salt (1:2)

CAS Registry Number®

51023-76-8

CAS Name

Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, sodium salt (1:2)

Molecular Formula

C17H14N2O7S3.2Na

Cite this Page

Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, sodium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51023-76-8 (retrieved 2024-11-14) (CAS RN: 51023-76-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H14N2O7S3.2Na/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23;;/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26);;

InChIKey

InChIKey=PTNIXKUMMLOEEW-UHFFFAOYSA-N

SMILES

C(=CC1=C(S(=O)(=O)O)C=C(N=C=S)C=C1)C2=C(S(=O)(=O)O)C=C(NC(C)=O)C=C2.[Na]

Canonical SMILES

[Na].O=C(NC1=CC=C(C=CC2=CC=C(N=C=S)C=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O)C

Other Names for this Substance

  • Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, sodium salt (1:2)
  • Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, disodium salt
  • Disodium 4-acetamido-4′-isothiocyanatostilbene-2,2′-disulfonate
  • SITS

CAS INSIGHTSTM
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