Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H17NO2.C7H8O3S |
Molecular Weight | 439.524 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.O=C(OCC2=CC=CC=C2)[C@@H]3CC4=C(CN3)C=CC=C4
InChI
InChIKey=PSMBIFNNFMRIMV-NTISSMGPSA-N
InChI=1S/C17H17NO2.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1
Molecular Formula | C17H17NO2 |
Molecular Weight | 267.3224 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C7H8O3S |
Molecular Weight | 172.202 |
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 15:55:31 GMT 2023
by
admin
on
Fri Dec 15 15:55:31 GMT 2023
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Record UNII |
7O3F0JS1ZO
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Record Status |
Validated (UNII)
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Record Version |
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77497-97-3
Created by
admin on Fri Dec 15 15:55:31 GMT 2023 , Edited by admin on Fri Dec 15 15:55:31 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |