1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt (1:1), [1R-(1α,4aβ,10aα)]-
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![1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt (1:1), [1R-(1α,4aβ,10aα)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/427835c62149443da2428f0976496de5.png "1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt (1:1), [1R-(1α,4aβ,10aα)]-")
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt (1:1), [1R-(1α,4aβ,10aα)]-
structure -
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CAS No:
86408-75-5
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Formula:
C20H28O5S.Ca
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Chemical Name:
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt (1:1), [1R-(1α,4aβ,10aα)]-
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Synonyms:
1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-,calcium salt (1:1),[1R-(1α,4aβ,10aα)]-
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CAS No:
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt (1:1), [1R-(1α,4aβ,10aα)]- Basic Attributes
418.6 g/mol
418.112686 g/mol
Computed Properties
Molecular Weight:418.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:418.1126859
Monoisotopic Mass:418.1126859
Topological Polar Surface Area:106
Heavy Atom Count:27
Complexity:647
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt (1:1), [1R-(1α,4aβ,10aα)]-
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