Benzoic acid, 3-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]-, sodium salt (1:2)

CAS Registry Number®

41011-48-7

CAS Name

Benzoic acid, 3-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]-, sodium salt (1:2)

Molecular Formula

C27H18N2O10S2.2Na

Molecular Mass

640.55

Cite this Page

Benzoic acid, 3-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]-, sodium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41011-48-7 (retrieved 2025-08-05) (CAS RN: 41011-48-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H18N2O10S2.2Na/c28-24-21(40(34,35)36)13-20(22-23(24)26(31)19-7-2-1-6-18(19)25(22)30)29-15-8-10-16(11-9-15)39-41(37,38)17-5-3-4-14(12-17)27(32)33;;/h1-13,29H,28H2,(H,32,33)(H,34,35,36);;

InChIKey

InChIKey=VDYLGCHEEWVBKL-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=CC=C(OS(=O)(=O)C5=CC(C(O)=O)=CC=C5)C=C4.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)NC=3C=C(C(N)=C4C(=O)C=5C=CC=CC5C(=O)C34)S(=O)(=O)O

Other Names for this Substance

  • Benzoic acid, 3-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]-, sodium salt (1:2)
  • Benzoic acid, 3-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]-, disodium salt

CAS INSIGHTSTM
This is the vasculature of an actual heart (porcine heart, identical to human heart).