1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-carboxylic acid
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![1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/56f14050b929487b8e8cdc2ccf3b35b9.png "1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-carboxylic acid")
1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-carboxylic acid
structure -
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CAS No:
1755-58-4
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Formula:
C21H8Cl12O5S
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Chemical Name:
1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-carboxylic acid
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Synonyms:
NSC-270718;NSC270718;CHEMBL401844;1755-58-4;Probes1_000079;Probes1_000289;Probes2_000235;Probes2_000249;BCC-8;DTXSID80938670;BDBM50198305;1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-sulfo-1,4:5,8-dimethanotriphenylene-10-carboxylic acid;1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-11-sulfo-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene-10-carboxylic acid;1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.1^{4,7}.0^{2,15}.0^{3,8}.0^{9,14}]icosa-5,9(14),10,12,17-pentaene-11-carboxylic acid
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CAS No:
1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-carboxylic acid Basic Attributes
797.8 g/mol
797.626626 g/mol
270718
Computed Properties
Molecular Weight:797.8
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:797.626626
Monoisotopic Mass:791.635477
Topological Polar Surface Area:100
Heavy Atom Count:39
Complexity:1410
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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