Cas no 71195-66-9 (Benzenesulfonic acid,2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-,sodium salt (1:1))

Benzenesulfonic acid,2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-,sodium salt (1:1) structure
71195-66-9 structure
Product Name:Benzenesulfonic acid,2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-,sodium salt (1:1)
CAS No:71195-66-9
MF:C28H21N2NaO5S
MW:520.53151679039
CID:570331
PubChem ID:23674223
Update Time:2025-04-19

Benzenesulfonic acid,2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-,sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-,sodium salt (1:1)
    • sodium 4-[[9,10-dihydro-9,10-dioxo-4-(p-tolylamino)-1-anthryl]amino]toluene-3-sulphonate
    • Benzenesulfonic acid, 2-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, monosodium salt
    • Benzenesulfonic acid, 2-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, sodium salt (1:1)
    • Sodium 4-((9,10-dihydro-9,10-dioxo-4-(p-tolylamino)-1-anthryl)amino)toluene-3-sulphonate
    • sodium 5-methyl-2-({4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)benzenes
    • EINECS 286-464-7
    • EINECS 275-258-2
    • Benzenesulfonic acid, 2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-, monosodium salt
    • Sodium 2(or 5)-((9,10-dihydro-9,10-dioxo-4-((p-tolyl)amino)-1-anthryl)amino)-5(or 2)-methylbenzenesulphonate
    • NS00062210
    • 85248-91-5
    • Benzenesulfonic acid, 2(or 5)-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5(or 2)-methyl-, monosodium salt
    • 71195-66-9
    • DTXSID50887863
    • Benzenesulfonic acid, 2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-, sodium salt (1:1)
    • Inchi： 1S/C28H22N2O5S.Na/c1-16-7-10-18(11-8-16)29-22-13-14-23(30-21-12-9-17(2)15-24(21)36(33,34)35)26-25(22)27(31)19-5-3-4-6-20(19)28(26)32;/h3-15,29-30H,1-2H3,(H,33,34,35);/q;+1/p-1
    • InChI Key： HBWKFBRUDAQBCZ-UHFFFAOYSA-M
    • SMILES： S(C1C=C(C)C=CC=1NC1=CC=C(C2C(C3C=CC=CC=3C(C=21)=O)=O)NC1C=CC(C)=CC=1)(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 520.10703
  • Monoisotopic Mass: 520.106887
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 5
  • Complexity: 931
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 12
  • XLogP3: nothing
  • Topological Polar Surface Area: 124

Experimental Properties

  • PSA: 115.4

Benzenesulfonic acid,2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-,sodium salt (1:1) Related Literature

71195-66-9 (Benzenesulfonic acid,2-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-methyl-,sodium salt (1:1)) Related Products

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