Details
Stereochemistry | MIXED |
Molecular Formula | C20H24N2OS2.C6H6O3S |
Molecular Weight | 530.722 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.C[S+]([O-])C2=CC=C3SC4=C(C=CC=C4)N(CCC5CCCCN5)C3=C2
InChI
InChIKey=AESNWFCMAQQHAP-UHFFFAOYSA-N
InChI=1S/C20H24N2OS2.C6H6O3S/c1-25(23)16-9-10-20-18(14-16)22(13-11-15-6-4-5-12-21-15)17-7-2-3-8-19(17)24-20;7-10(8,9)6-4-2-1-3-5-6/h2-3,7-10,14-15,21H,4-6,11-13H2,1H3;1-5H,(H,7,8,9)
Molecular Formula | C20H24N2OS2 |
Molecular Weight | 372.547 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C6H6O3S |
Molecular Weight | 158.175 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:10:26 GMT 2023
by
admin
on
Fri Dec 15 15:10:26 GMT 2023
|
Record UNII |
NF7BZ3O2P1
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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NF7BZ3O2P1
Created by
admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
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PRIMARY | |||
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137321686
Created by
admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
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PRIMARY | |||
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14876-35-8
Created by
admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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23247-59-8
Created by
admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |