(3Z)-5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-4-Oxo-3-(Phenylhydrazono)-3,4-Dihydro-2,7-Naphthalenedisulfonic Acid

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Properties Simple | Detailed

Formula C16H13Cl2N6O7S2
IUPAC Name (8z)-3-chloro-2-(2-chlorohydrazino)-8-[(2,3-dimethylenecyclopropylidene)hydrazono]-4-sulfonato-3ah-benzo[e]benzimidazol-1-ium-9-one; sulfur trioxide
Molecular Mass 536.346 g·mol−1
Heat of Formation 1804.3 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 503.21 Å 3
Surface Area 448.22 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -3.11 ± eV
Point Group Symmetry C1
InChIKey JTLZZMCBJJNFAR-DICXZTSXSA-N
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Elements S N C O Cl