3-(1-(7-((Hexadecylsulfonyl)Amino)-1H-Indol-3-Yl)-3-Oxo-1H,3H-Naphtho(1,8-cd)Pyran-1-Yl)-1H-Indole-7-Carboxylic Acid
[CAS# 37921-74-7]

Identification

• Name: 3-(1-(7-((Hexadecylsulfonyl)Amino)-1H-Indol-3-Yl)-3-Oxo-1H,3H-Naphtho(1,8-cd)Pyran-1-Yl)-1H-Indole-7-Carboxylic Acid
• Synonyms: 3-(1-(7-((Hexadecylsulphonyl)Amino)-1H-Indol-3-Yl)-3-Oxo-1H,3H-Naphtho(1,8-Cd)Pyran-1-Yl)-1H-Indole-7-Carboxylic Acid
• Molecular Formula: C₄₅H₅₁N₃O₆S
• Molecular Weight: 761.97
• CAS Registry Number: 37921-74-7
• EINECS: 253-716-2
• SMILES: C7=C(C1=C(C(=C[NH]1)C5(C2=C[NH]C3=C2C=CC=C3N[S](=O)(=O)CCCCCCCCCCCCCCCC)OC(=O)C4=C6C(=CC=C4)C=CC=C56)C=C7)C(O)=O
• InChI: 1S/C45H51N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-55(52,53)48-39-27-19-23-33-38(30-47-42(33)39)45(37-29-46-41-32(37)22-18-25-35(41)43(49)50)36-26-17-21-31-20-16-24-34(40(31)36)44(51)54-45/h16-27,29-30,46-48H,2-15,28H2,1H3,(H,49,50)
• InChIKey: CDSNHGGKFVLHSW-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 958.306°C at 760 mmHg (Cal.)
• Flash point: 533.364°C (Cal.)