Primuline
[CAS# 8064-60-6]

Identification

• Name: Primuline
• Synonyms: Primuline, Sodium Salt; Primulinesulfonic Acid; [2,6':2',6''-Terbenzothiazole]-7-Sulfonic Acid, 2''-(4-Aminophenyl)-6-Methyl-, Monosodium Salt, Mixt. With 2'-(4-Aminophenyl)-6-Methyl[2,6'-Bibenzothiazole]-7-Sulfonic Acid Monosodium Salt
• Molecular Formula: C₄₉H₃₃N₇O₆S₇
• Molecular Weight: 1040.26
• CAS Registry Number: 8064-60-6
• SMILES: C2=C1N=C(SC1=C([S](O)(=O)=O)C(=C2)C)C7=CC3=C(N=C(S3)C6=CC4=C(N=C(S4)C5=CC=C(N)C=C5)C=C6)C=C7.C9=C8N=C(SC8=C([S](O)(=O)=O)C(=C9)C)C%12=CC%10=C(N=C(S%10)C%11=CC=C(N)C=C%11)C=C%12
• InChI: 1S/C28H18N4O3S4.C21H15N3O3S3/c1-14-2-9-21-24(25(14)39(33,34)35)38-28(32-21)17-6-11-20-23(13-17)37-27(31-20)16-5-10-19-22(12-16)36-26(30-19)15-3-7-18(29)8-4-15;1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12/h2-13H,29H2,1H3,(H,33,34,35);2-10H,22H2,1H3,(H,25,26,27)
• InChIKey: ZAXBCXVACRXRQZ-UHFFFAOYSA-N