4,4'-Bis{[(4-Methylphenyl)Carbamoyl]Amino}-2,2'-Biphenyldisulfonic Acid

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Properties Simple | Detailed

Formula C28H26N4O8S2
IUPAC Name 5-(p-tolylcarbamoylamino)-2-[4-(p-tolylcarbamoylamino)-2-sulfo-phenyl]benzenesulfonic acid
Molecular Mass 610.658 g·mol−1
Heat of Formation -1082.8 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 646.86 Å 3
Surface Area 554.59 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C2
Synonyms
  • 5-[(4-methylphenyl)carbamoylamino]-2-[4-[(4-methylphenyl)carbamoylamino]-2-sulfo-phenyl]benzenesulfonic acid
  • 5-[[[(4-methylphenyl)amino]-oxomethyl]amino]-2-[4-[[[(4-methylphenyl)amino]-oxomethyl]amino]-2-sulfophenyl]benzenesulfonic acid
  • [1,1'-biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[[(4-methylphenyl)amino]carbonyl]amino]-
  • mdl 101028
InChIKey MWLHELSXXMYURF-UHFFFAOYSA-N
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