162109-21-9 Purity
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Specification
The molecular formula of Solvent Orange 63 is C23H12OS.
The molecular weight of Solvent Orange 63 is 336.4 g/mol.
The IUPAC name of Solvent Orange 63 is 8-thiahexacyclo[10.10.2.0 2,7 .0 9,23 .0 13,18 .0 20,24 ]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaen-19-one.
The InChI of Solvent Orange 63 is InChI=1S/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H.
The InChIKey of Solvent Orange 63 is NVNWZZLOQBHTCW-UHFFFAOYSA-N.
The canonical SMILES of Solvent Orange 63 is C1=CC=C2C(=C1)C3=CC=C4C5=C(C=CC(=C35)C2=O)C6=CC=CC=C6S4.
The CAS number of Solvent Orange 63 is 16294-75-0.
The XLogP3-AA value of Solvent Orange 63 is 6.1.
Solvent Orange 63 has 0 hydrogen bond donor counts.
Solvent Orange 63 has 2 hydrogen bond acceptor counts.