2-[5-(2-Carboxyphenyl)Sulfanyl-9,10-Dioxoanthracen-1-Yl]Sulfanylbenzoic Acid
[CAS# 76404-13-2]

Identification

• Name: 2-[5-(2-Carboxyphenyl)Sulfanyl-9,10-Dioxoanthracen-1-Yl]Sulfanylbenzoic Acid
• Synonyms: 2-[[5-(2-Carboxyphenyl)Sulfanyl-9,10-Dioxo-1-Anthryl]Sulfanyl]Benzoic Acid; 2-[[5-[(2-Carboxyphenyl)Thio]-9,10-Dioxo-1-Anthryl]Thio]Benzoic Acid; 2-[[5-[(2-Carboxyphenyl)Thio]-9,10-Diketo-1-Anthryl]Thio]Benzoic Acid
• Molecular Formula: C₂₈H₁₆O₆S₂
• Molecular Weight: 512.55
• CAS Registry Number: 76404-13-2
• EINECS: 278-436-8
• SMILES: C1=CC=CC(=C1C(=O)O)SC2=C4C(=CC=C2)C(C3=C(C=CC=C3C4=O)SC5=C(C=CC=C5)C(=O)O)=O
• InChI: 1S/C28H16O6S2/c29-25-18-10-6-14-22(36-20-12-4-2-8-16(20)28(33)34)24(18)26(30)17-9-5-13-21(23(17)25)35-19-11-3-1-7-15(19)27(31)32/h1-14H,(H,31,32)(H,33,34)
• InChIKey: BCAONPSJOUWZBK-UHFFFAOYSA-N

Properties

• Density: 1.591g/cm³ (Cal.)
• Boiling point: 736.734°C at 760 mmHg (Cal.)
• Flash point: 399.362°C (Cal.)