Vat Black 8
HIT218849096
sdf文件结构编辑类似物检索
HIT ID: HIT218849096
Cas No: 2278-50-4
分子式: C45H19N3O4
分子量: 665.664
常用名: Vat Black 8
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6,42,48-triazatridecacyclo[25.18.2.1^{39,42}.0^{2,22}.0^{5,21}.0^{7,20}.0^{8,17}.0^{10,15}.0^{24,46}.0^{28,41}.0^{31,40}.0^{33,38}.0^{43,47}]octatetraconta-1(45),2(22),3,5(21),7(20),8(17),10,12,14,18,24(46),25,27(47),28,30,33(38),34,36,39(48),40,43-henicosaene-9,16,23,32-tetrone
IUPAC: 6,42,48-triazatridecacyclo[25.18.2.1^{39,42}.0^{2,22}.0^{5,21}.0^{7,20}.0^{8,17}.0^{10,15}.0^{24,46}.0^{28,41}.0^{31,40}.0^{33,38}.0^{43,47}]octatetraconta-1(45),2(22),3,5(21),7(20),8(17),10,12,14,18,24(46),25,27(47),28,30,33(38),34,36,39(48),40,43-henicosaene-9,16,23,32-tetrone
SMILES: O=c1c2ccc3c4c2c(nn4c2ccc4c5ccc6[nH]c7c(ccc8c7c(=O)c7ccccc7c8=O)c6c5c(=O)c5ccc3c2c45)c2ccccc12
SMILES: O=c1c2ccc3c4c2c(nn4c2ccc4c5ccc6[nH]c7c(ccc8c7c(=O)c7ccccc7c8=O)c6c5c(=O)c5ccc3c2c45)c2ccccc12
InChI key: VUSWQWZUVYOZAY-UHFFFAOYSA-N
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