4424-06-0 Purity
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Specification
The molecular formula of Vat Black 29 is C64H34N4O8.
Vat Black 29 was created on 2015-02-16 and last modified on 2023-12-23.
The molecular weight of Vat Black 29 is 987.0 g/mol.
The IUPAC Name of Vat Black 29 is N-[4-[[18-[(4-benzamido-9,10-dioxoanthracen-1-yl)amino]-12,22-dioxo-9-hexacyclo[11.7.1.1 4,20 .0 2,11 .0 3,8 .0 17,21 ]docosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]amino]-9,10-dioxoanthracen-1-yl]benzamide.
The InChIKey of Vat Black 29 is OOBLPEMDRSTPAM-UHFFFAOYSA-N.
The Canonical SMILES of Vat Black 29 is C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=C5C=CC=C6C5=C7C(=C4)C(=O)C8=CC=CC9=C(C=C(C7=C98)C6=O)NC1=C2C(=C(C=C1)NC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1C2=O)C(=O)C1=CC=CC=C1C3=O.
The CAS number of Vat Black 29 is 6049-19-0.
The Hydrogen Bond Donor Count of Vat Black 29 is 4.
The Rotatable Bond Count of Vat Black 29 is 8.
The Topological Polar Surface Area of Vat Black 29 is 185 Å2.