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5-Isothiocyanatoalrestatin
[CAS# 103904-10-5]

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Identification
Name 5-Isothiocyanatoalrestatin
Molecular Structure CAS#: 103904-10-5, 5-Isothiocyanatoalrestatin
Molecular Formula C15H8N2O4S
Molecular Weight 312.30
CAS Registry Number 103904-10-5
SMILES S=C=NC1=CC3=C2C(=C1)C=CC=C2C(N(C3=O)CC(O)=O)=O
InChI 1S/C15H8N2O4S/c18-12(19)6-17-14(20)10-3-1-2-8-4-9(16-7-22)5-11(13(8)10)15(17)21/h1-5H,6H2,(H,18,19)
InChIKey VBBIZCNBONOCLL-UHFFFAOYSA-N
Properties
Density 1.547g/cm3 (Cal.)
Boiling point 622.309°C at 760 mmHg (Cal.)
Flash point 330.161°C (Cal.)
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