4203-77-4 Purity
96%
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Specification
The molecular formula of Vat Violet 13 is C28H14N2O4.
The molecular weight of Vat Violet 13 is 442.4 g/mol.
The IUPAC name of Vat Violet 13 is 5,20-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-2,12,17,27-tetrone.
The InChI of Vat Violet 13 is InChI=1S/C28H14N2O4/c31-25-13-5-1-3-7-19(13)29-23-17(25)11-9-15-21(23)27(33)16-10-12-18-24(22(16)28(15)34)30-20-8-4-2-6-14(20)26(18)32/h1-12H,(H,29,31)(H,30,32).
The InChIKey of Vat Violet 13 is KLCBMAACUWYFIZ-UHFFFAOYSA-N.
The canonical SMILES of Vat Violet 13 is C1=CC=C2C(=C1)C(=O)C3=C(N2)C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5NC7=CC=CC=C7C6=O.
The CAS number of Vat Violet 13 is 4424-87-7.
The molecular weight of Vat Violet 13 according to PubChem is 442.4 g/mol.
Vat Violet 13 has 2 hydrogen bond donor counts.
Vat Violet 13 has 6 hydrogen bond acceptor counts.