6370-75-8 Purity
96%
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Specification
The molecular formula of Vat Red 14 is C52H24N8O4.
The molecular weight of Vat Red 14 is 824.8 g/mol.
Some synonyms for Vat Red 14 include 8005-56-9, EINECS 232-340-2, Mikethren scarlet GG, and Indanthren Scarlet GG.
The component compounds of Vat Red 14 are Bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione and Bisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione.
The IUPAC name of Vat Red 14 is 3,10,17,24-tetrazaoctacyclo[13.13.2.0 2,10 .0 4,9 .0 12,29 .0 16,24 .0 18,23 .0 26,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;3,10,17,24-tetrazaoctacyclo[13.13.2.0 2,10 .0 4,9 .0 12,29 .0 17,25 .0 18,23 .0 26,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione.
The InChI of Vat Red 14 is InChI=1S/2C26H12N4O2/c31-25-15-12-10-14-22-16(26(32)30-20-8-4-2-6-18(20)28-24(14)30)11-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25;31-25-15-11-12-16-22-14(24-28-18-6-2-4-8-20(18)30(24)26(16)32)10-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h2*1-12H.
The InChIKey of Vat Red 14 is BMZAOXGPXCPSTH-UHFFFAOYSA-N.
The canonical SMILES of Vat Red 14 is C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=C5C6=C(C=CC3=C46)C7=NC8=CC=CC=C8N7C5=O.C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=C5C6=C(C=CC3=C46)C(=O)N7C5=NC8=CC=CC=C87.
The CAS number of Vat Red 14 is 8005-56-9.
The topological polar surface area of Vat Red 14 is 140 Å2.