Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H16O6.2C16H19N3O5S |
Molecular Weight | 1119.1821 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O.CC1(C)[C@]([H])(C(=O)O)N2C(=O)[C@]([H])([C@@]2([H])S1)N=C([C@@]([H])(c3ccc(cc3)O)N)O.CC1(C)[C@]([H])(C(=O)O)N2C(=O)[C@]([H])([C@@]2([H])S1)N=C([C@@]([H])(c3ccc(cc3)O)N)O
InChI
InChIKey=WXXKGMSZYRAJSK-XSULHWGKSA-N
InChI=1S/C23H16O6.2C16H19N3O5S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t;2*9-,10-,11+,14-/m.11/s1
Molecular Formula | C16H19N3O5S |
Molecular Weight | 365.4059 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C23H16O6 |
Molecular Weight | 388.3704 |
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
Sat Jun 26 00:28:22 UTC 2021
by
admin
on
Sat Jun 26 00:28:22 UTC 2021
|
Record UNII |
3V3X0IX41I
|
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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119229-00-4
Created by
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91617951
Created by
admin on Sat Jun 26 00:28:22 UTC 2021 , Edited by admin on Sat Jun 26 00:28:22 UTC 2021
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3V3X0IX41I
Created by
admin on Sat Jun 26 00:28:22 UTC 2021 , Edited by admin on Sat Jun 26 00:28:22 UTC 2021
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |