3',6'-Bis(4-Guanidinobenzoyloxy)-5-(N'-4-Carboxyphenyl)Thioureidospiro(Isobenzofuran-1(3H),9'-(9H)Xanthen)-3-One
[CAS# 75296-16-1]

Identification

• Name: 3',6'-Bis(4-Guanidinobenzoyloxy)-5-(N'-4-Carboxyphenyl)Thioureidospiro(Isobenzofuran-1(3H),9'-(9H)Xanthen)-3-One
• Synonyms: Benzoic Acid, 4-((Aminoiminomethyl)Amino)-, 5-((((4-Carboxyphenyl)Amino)Thioxomethyl)Amino)-3-Oxospiro(Isobenzofuran-1(3H),9'-(9H)Xanthene)-3',6'-Diyl Ester; Bgbtsbx; Fluorescein Diester
• Molecular Formula: C₄₄H₃₂N₈O₉S
• Molecular Weight: 848.85
• CAS Registry Number: 75296-16-1
• SMILES: C1=C(C=CC2=C1C(OC25C3=C(C=C(C=C3)OC(C4=CC=C(C=C4)NC(=N)N)=O)OC6=C5C=CC(=C6)OC(C7=CC=C(C=C7)NC(=N)N)=O)=O)NC(=S)NC8=CC=C(C=C8)C(=O)O
• InChI: 1S/C44H32N8O9S/c45-41(46)49-25-9-3-23(4-10-25)38(55)58-29-14-17-33-35(20-29)60-36-21-30(59-39(56)24-5-11-26(12-6-24)50-42(47)48)15-18-34(36)44(33)32-16-13-28(19-31(32)40(57)61-44)52-43(62)51-27-7-1-22(2-8-27)37(53)54/h1-21H,(H,53,54)(H4,45,46,49)(H4,47,48,50)(H2,51,52,62)
• InChIKey: LYWNSVUNJBBQBQ-UHFFFAOYSA-N

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 1023.5°C at 760 mmHg (Cal.)
• Flash point: 572.8°C (Cal.)