Direct Black 122
[CAS# 16894-32-9]

Identification

• Name: Direct Black 122
• Molecular Formula: C₅₈H₄₁N₁₅O₂₄S₄
• Molecular Weight: 1460.29
• CAS Registry Number: 16894-32-9
• EINECS: 240-936-9
• SMILES: C1=C(C(=CC(=C1)N=NC3=C(C=C2C(=C(C=CC2=C3O)N)N=NC4=CC=C(C(=C4)C(=O)O)O)[S](=O)(=O)O)C(=O)O)N=NC6=C(C=C5C=C(C(=C(C5=C6N)O)N=NC7=CC=C(C=C7OC)N=NC9=C(C=C8C(=C(C=CC8=C9O)N)N=NC%10=CC=C(C(=C%10)C(=O)O)O)[S](=O)(=O)O)[S](=O)(=O)O)[S](=O)(=O)O
• InChI: 1S/C58H41N15O24S4/c1-97-40-19-26(65-72-51-44(101(94,95)96)21-30-28(54(51)77)7-9-35(60)48(30)69-63-25-5-13-39(75)33(18-25)58(83)84)3-11-37(40)67-73-52-42(99(88,89)90)15-22-14-41(98(85,86)87)49(46(61)45(22)55(52)78)70-66-36-10-2-23(16-31(36)56(79)80)64-71-50-43(100(91,92)93)20-29-27(53(50)76)6-8-34(59)47(29)68-62-24-4-12-38(74)32(17-24)57(81)82/h2-21,74-78H,59-61H2,1H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)
• InChIKey: SSYZQXVEUDAUOJ-UHFFFAOYSA-N

Properties

• Density: 1.9g/cm³ (Cal.)