HIT ID: HIT212714375
Cas No: 6424-75-5
分子式: C21H14BrN2NaO5S
分子量: 509.31
常用名: Acid Blue 78
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 5.7105994
IUPAC: sodium 2-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzene-1-sulfonate
IUPAC: sodium 2-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzene-1-sulfonate
SMILES: [Na+].Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S([O-])(=O)=O
SMILES: [Na+].Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S([O-])(=O)=O
InChI key: QVCCZAZTGUCIHD-UHFFFAOYSA-M
