12237-38-6 Purity
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Specification
The molecular formula of Vat Green 1 is C36H20O4.
Vat Green 1 was created in 2005-08-08.
The molecular weight of Vat Green 1 is 516.5 g/mol.
The IUPAC name of Vat Green 1 is 30,34-dimethoxynonacyclo[18.10.2.2 2,5 .0 3,16 .0 4,13 .0 6,11 .0 17,31 .0 22,27 .0 28,32 ]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione.
The InChI of Vat Green 1 is InChI=1S/C36H20O4/c1-39-27-15-25-17-7-3-5-9-21(17)35(37)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)38)16-28(40-2)34(32(20)30)33(27)31(19)29(23)25/h3-16H,1-2H3.
The InChIKey of Vat Green 1 is JXUKQCUPTNLTCS-UHFFFAOYSA-N.
Vat Green 1 has 4 hydrogen bond acceptor counts.
The XLogP3-AA value of Vat Green 1 is 8.
The topological polar surface area of Vat Green 1 is 52.6 Å2.
The formal charge of Vat Green 1 is 0.