Ethane;20,20,37,37-tetraoxo-20lambda6,37lambda6-dithia-8,15,32-triaza-25-azoniatridecacyclo[21.17.1.16,38.02,21.03,19.04,39.05,17.07,15.09,14.025,33.026,31.034,41.036,40]dotetraconta-1(41),2(21),3(19),4,6(42),7,9,11,13,17,22,25(33),26,28,30,34,36(40),38-octadecaene-16,24-dione

分子结构分类

有机化合物 - 苯类化合物 - 菲及其衍生物

中文名称

——

中文别名

——

英文名称

Ethane;20,20,37,37-tetraoxo-20lambda6,37lambda6-dithia-8,15,32-triaza-25-azoniatridecacyclo[21.17.1.16,38.02,21.03,19.04,39.05,17.07,15.09,14.025,33.026,31.034,41.036,40]dotetraconta-1(41),2(21),3(19),4,6(42),7,9,11,13,17,22,25(33),26,28,30,34,36(40),38-octadecaene-16,24-dione

英文别名

ethane;20,20,37,37-tetraoxo-20λ6,37λ6-dithia-8,15,32-triaza-25-azoniatridecacyclo[21.17.1.16,38.02,21.03,19.04,39.05,17.07,15.09,14.025,33.026,31.034,41.036,40]dotetraconta-1(41),2(21),3(19),4,6(42),7,9,11,13,17,22,25(33),26,28,30,34,36(40),38-octadecaene-16,24-dione

Ethane;20,20,37,37-tetraoxo-20lambda6,37lambda6-dithia-8,15,32-triaza-25-azoniatridecacyclo[21.17.1.16,38.02,21.03,19.04,39.05,17.07,15.09,14.025,33.026,31.034,41.036,40]dotetraconta-1(41),2(21),3(19),4,6(42),7,9,11,13,17,22,25(33),26,28,30,34,36(40),38-octadecaene-16,24-dione化学式

CAS

——

化学式

C40H25N4O6S2+

mdl

——

分子量

721.8

InChiKey

VRBSTFOFIVAELZ-UHFFFAOYSA-O

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

7.27
重原子数：

52
可旋转键数：

0
环数：

13.0
sp3杂化的碳原子比例：

0.1
拓扑面积：

157
氢给体数：

1
氢受体数：

7

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Ethane;20,20,37,37-tetraoxo-20lambda6,37lambda6-dithia-8,15,32-triaza-25-azoniatridecacyclo[21.17.1.16,38.02,21.03,19.04,39.05,17.07,15.09,14.025,33.026,31.034,41.036,40]dotetraconta-1(41),2(21),3(19),4,6(42),7,9,11,13,17,22,25(33),26,28,30,34,36(40),38-octadecaene-16,24-dione

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