Organic compounds
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6,7-Dihydro-2-pentafluorophenyl-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate 98.0+%, TCI America™
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CAS: 862095-91-8 Molecular Formula: C11H7BF9N3 Molecular Weight (g/mol): 362.994 MDL Number: MFCD08459335 InChI Key: KIWCIWCCQVTPOY-UHFFFAOYSA-N PubChem CID: 11152694 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.C1CC2=NN(C=[N+]2C1)C3=C(C(=C(C(=C3F)F)F)F)F
| PubChem CID | 11152694 |
|---|---|
| CAS | 862095-91-8 |
| Molecular Weight (g/mol) | 362.994 |
| MDL Number | MFCD08459335 |
| SMILES | [B-](F)(F)(F)F.C1CC2=NN(C=[N+]2C1)C3=C(C(=C(C(=C3F)F)F)F)F |
| IUPAC Name | 2-(2,3,4,5,6-pentafluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate |
| InChI Key | KIWCIWCCQVTPOY-UHFFFAOYSA-N |
| Molecular Formula | C11H7BF9N3 |
2,3-Thiophenedicarboxylic Anhydride 98.0+%, TCI America™
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CAS: 6007-83-6 Molecular Formula: C6H2O3S Molecular Weight (g/mol): 154.139 MDL Number: MFCD09832453 InChI Key: FIDKFEIEZJGDBE-UHFFFAOYSA-N PubChem CID: 222951 IUPAC Name: thieno[2,3-c]furan-4,6-dione SMILES: C1=CSC2=C1C(=O)OC2=O
| PubChem CID | 222951 |
|---|---|
| CAS | 6007-83-6 |
| Molecular Weight (g/mol) | 154.139 |
| MDL Number | MFCD09832453 |
| SMILES | C1=CSC2=C1C(=O)OC2=O |
| IUPAC Name | thieno[2,3-c]furan-4,6-dione |
| InChI Key | FIDKFEIEZJGDBE-UHFFFAOYSA-N |
| Molecular Formula | C6H2O3S |
3-Chloro-4-fluoronitrobenzene 95.0+%, TCI America™
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CAS: 350-30-1 Molecular Formula: C6H3ClFNO2 Molecular Weight (g/mol): 175.54 MDL Number: MFCD00007206 InChI Key: DPHCXXYPSYMICK-UHFFFAOYSA-N Synonym: 3-chloro-4-fluoronitrobenzene,benzene, 2-chloro-1-fluoro-4-nitro,3-chloro-4-fluoro-1-nitrobenzene,4-fluoro-3-chloronitrobenzene,1-chloro-2-fluoro-5-nitrobenzene,2-chloro-1-fluoro-4-nitro-benzene,3-chloro-4-fluoro-nitrobenzene,pubchem8539,acmc-209icj,dsstox_cid_29134 PubChem CID: 67688 IUPAC Name: 2-chloro-1-fluoro-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(F)C(Cl)=C1
| PubChem CID | 67688 |
|---|---|
| CAS | 350-30-1 |
| Molecular Weight (g/mol) | 175.54 |
| MDL Number | MFCD00007206 |
| SMILES | [O-][N+](=O)C1=CC=C(F)C(Cl)=C1 |
| Synonym | 3-chloro-4-fluoronitrobenzene,benzene, 2-chloro-1-fluoro-4-nitro,3-chloro-4-fluoro-1-nitrobenzene,4-fluoro-3-chloronitrobenzene,1-chloro-2-fluoro-5-nitrobenzene,2-chloro-1-fluoro-4-nitro-benzene,3-chloro-4-fluoro-nitrobenzene,pubchem8539,acmc-209icj,dsstox_cid_29134 |
| IUPAC Name | 2-chloro-1-fluoro-4-nitrobenzene |
| InChI Key | DPHCXXYPSYMICK-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClFNO2 |
beta-Isatoxime 98.0+%, TCI America™
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CAS: 607-28-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00014568 InChI Key: LNMAXZZQNSPQSR-UHFFFAOYSA-N Synonym: isatin-3-oxime,3-hydroxyimino indolin-2-one,1h-indole-2,3-dione 3-oxime,3-oximeindole-2,3-dione,isatin beta-oxime,1h-indole-2,3-dione, 3-oxime,3-hydroxyiminoindolin-2-one,indole-2,3-dione, 3-oxime,3e-1h-indole-2,3-dione 3-oxime,3-hydroxyamino indol-2-one PubChem CID: 5351629 IUPAC Name: 3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one SMILES: ON=C1C(=O)NC2=C1C=CC=C2
| PubChem CID | 5351629 |
|---|---|
| CAS | 607-28-3 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00014568 |
| SMILES | ON=C1C(=O)NC2=C1C=CC=C2 |
| Synonym | isatin-3-oxime,3-hydroxyimino indolin-2-one,1h-indole-2,3-dione 3-oxime,3-oximeindole-2,3-dione,isatin beta-oxime,1h-indole-2,3-dione, 3-oxime,3-hydroxyiminoindolin-2-one,indole-2,3-dione, 3-oxime,3e-1h-indole-2,3-dione 3-oxime,3-hydroxyamino indol-2-one |
| IUPAC Name | 3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one |
| InChI Key | LNMAXZZQNSPQSR-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
3-Methoxy-2-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 55289-06-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD02094039 InChI Key: JPCISVSOTKMFPG-UHFFFAOYSA-N Synonym: 3-methoxy-o-toluic acid,2-methyl-m-anisic acid,3-methoxy-2-methyl-benzoic acid,3-methoxy-2-methylbenzoicacid,benzoic acid, 3-methoxy-2-methyl,2-methyl-3-methoxybenzoic acid,pubchem4976,acmc-209lm1,ksc269c9h,2-methyl-3-methoxy-benzoic acid PubChem CID: 7021483 IUPAC Name: 3-methoxy-2-methylbenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1C
| PubChem CID | 7021483 |
|---|---|
| CAS | 55289-06-0 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD02094039 |
| SMILES | COC1=CC=CC(C(O)=O)=C1C |
| Synonym | 3-methoxy-o-toluic acid,2-methyl-m-anisic acid,3-methoxy-2-methyl-benzoic acid,3-methoxy-2-methylbenzoicacid,benzoic acid, 3-methoxy-2-methyl,2-methyl-3-methoxybenzoic acid,pubchem4976,acmc-209lm1,ksc269c9h,2-methyl-3-methoxy-benzoic acid |
| IUPAC Name | 3-methoxy-2-methylbenzoic acid |
| InChI Key | JPCISVSOTKMFPG-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Benzophenone Imine 95.0+%, TCI America™
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CAS: 1013-88-3 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.238 MDL Number: MFCD00001760 InChI Key: SXZIXHOMFPUIRK-UHFFFAOYSA-N Synonym: benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl PubChem CID: 136809 IUPAC Name: diphenylmethanimine SMILES: C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
| PubChem CID | 136809 |
|---|---|
| CAS | 1013-88-3 |
| Molecular Weight (g/mol) | 181.238 |
| MDL Number | MFCD00001760 |
| SMILES | C1=CC=C(C=C1)C(=N)C2=CC=CC=C2 |
| Synonym | benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl |
| IUPAC Name | diphenylmethanimine |
| InChI Key | SXZIXHOMFPUIRK-UHFFFAOYSA-N |
| Molecular Formula | C13H11N |
2,3-Dichloropyrazine 98.0+%, TCI America™
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CAS: 4858-85-9 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 MDL Number: MFCD00040964 InChI Key: MLCNOCRGSBCAGH-UHFFFAOYSA-N Synonym: pyrazine, 2,3-dichloro,2,3-dichloro-pyrazine,2,3-dichloro pyrazine,2,3-dichloro-1,4-diazine,2,3-dichlorpyrazin,dichloropyrazine,dichloro pyrazine,zlchem 169,2 3-dichloropyrazine,2,3 dichloropyrazine PubChem CID: 78575 IUPAC Name: 2,3-dichloropyrazine SMILES: ClC1=NC=CN=C1Cl
| PubChem CID | 78575 |
|---|---|
| CAS | 4858-85-9 |
| Molecular Weight (g/mol) | 148.97 |
| MDL Number | MFCD00040964 |
| SMILES | ClC1=NC=CN=C1Cl |
| Synonym | pyrazine, 2,3-dichloro,2,3-dichloro-pyrazine,2,3-dichloro pyrazine,2,3-dichloro-1,4-diazine,2,3-dichlorpyrazin,dichloropyrazine,dichloro pyrazine,zlchem 169,2 3-dichloropyrazine,2,3 dichloropyrazine |
| IUPAC Name | 2,3-dichloropyrazine |
| InChI Key | MLCNOCRGSBCAGH-UHFFFAOYSA-N |
| Molecular Formula | C4H2Cl2N2 |
4-(Trifluoromethyl)phenylacetic Acid 97.0+%, TCI America™
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CAS: 32857-62-8 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00004352 InChI Key: HNORVZDAANCHAY-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylacetic acid,2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylphenylacetic acid,4-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-p-tolyl acetic acid,benzeneacetic acid, 4-trifluoromethyl,p-trifluoromethyl phenylacetic acid,p-trifluoromethylphenylacetic acid,alpha,alpha,alpha-trifluoro-4-tolyl acetic acid PubChem CID: 118342 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 118342 |
|---|---|
| CAS | 32857-62-8 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD00004352 |
| SMILES | OC(=O)CC1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4-trifluoromethyl phenylacetic acid,2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylphenylacetic acid,4-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-p-tolyl acetic acid,benzeneacetic acid, 4-trifluoromethyl,p-trifluoromethyl phenylacetic acid,p-trifluoromethylphenylacetic acid,alpha,alpha,alpha-trifluoro-4-tolyl acetic acid |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]acetic acid |
| InChI Key | HNORVZDAANCHAY-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
[[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) 98.0+%, TCI America™
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CAS: 121207-31-6 Molecular Formula: C14H17BF2N2 Molecular Weight (g/mol): 262.11 MDL Number: MFCD00467372 InChI Key: DRJHPEGNOPSARR-UHFFFAOYSA-N Synonym: Pyrromethene 546 PubChem CID: 14766991 IUPAC Name: 2,2-difluoro-4,6,8,10,12-pentamethyl-1λ⁵,3-diaza-2-boratricyclo[7.3.0.0³,⁷]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide SMILES: CC1=CC(C)=C2N1[B-](F)(F)[N+]1=C(C)C=C(C)C1=C2C
| PubChem CID | 14766991 |
|---|---|
| CAS | 121207-31-6 |
| Molecular Weight (g/mol) | 262.11 |
| MDL Number | MFCD00467372 |
| SMILES | CC1=CC(C)=C2N1[B-](F)(F)[N+]1=C(C)C=C(C)C1=C2C |
| Synonym | Pyrromethene 546 |
| IUPAC Name | 2,2-difluoro-4,6,8,10,12-pentamethyl-1λ⁵,3-diaza-2-boratricyclo[7.3.0.0³,⁷]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide |
| InChI Key | DRJHPEGNOPSARR-UHFFFAOYSA-N |
| Molecular Formula | C14H17BF2N2 |
Silver(I) Trifluoromethanethiolate 95.0+%, TCI America™
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CAS: 811-68-7 Molecular Formula: CHAgF3S Molecular Weight (g/mol): 209.94 MDL Number: MFCD25563234 InChI Key: SVPQZGWGYCARGG-UHFFFAOYSA-N Synonym: Trifluoromethanethiol Silver(I) Salt PubChem CID: 24191737 IUPAC Name: trifluoromethanethiol silver SMILES: [Ag].FC(F)(F)S
| PubChem CID | 24191737 |
|---|---|
| CAS | 811-68-7 |
| Molecular Weight (g/mol) | 209.94 |
| MDL Number | MFCD25563234 |
| SMILES | [Ag].FC(F)(F)S |
| Synonym | Trifluoromethanethiol Silver(I) Salt |
| IUPAC Name | trifluoromethanethiol silver |
| InChI Key | SVPQZGWGYCARGG-UHFFFAOYSA-N |
| Molecular Formula | CHAgF3S |
Sodium 4-n-Octylbenzenesulfonate 98.0+%, TCI America™
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CAS: 6149-03-7 Molecular Formula: C14H21NaO3S Molecular Weight (g/mol): 292.37 MDL Number: MFCD00007512 InChI Key: ASJUTVUXOMPOQH-UHFFFAOYSA-M Synonym: sodium 4-n-octylbenzenesulfonate,sodium 4-octylbenzenesulfonate,unii-hts5em67p9,hts5em67p9,4-octylbenzenesulfonic acid sodium salt,4-n-octylbenzenesulfonic acid sodium salt,acmc-2097it,dsstox_cid_27594,dsstox_rid_82441,dsstox_gsid_47594 PubChem CID: 23670838 IUPAC Name: sodium;4-octylbenzenesulfonate SMILES: CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23670838 |
|---|---|
| CAS | 6149-03-7 |
| Molecular Weight (g/mol) | 292.37 |
| MDL Number | MFCD00007512 |
| SMILES | CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium 4-n-octylbenzenesulfonate,sodium 4-octylbenzenesulfonate,unii-hts5em67p9,hts5em67p9,4-octylbenzenesulfonic acid sodium salt,4-n-octylbenzenesulfonic acid sodium salt,acmc-2097it,dsstox_cid_27594,dsstox_rid_82441,dsstox_gsid_47594 |
| IUPAC Name | sodium;4-octylbenzenesulfonate |
| InChI Key | ASJUTVUXOMPOQH-UHFFFAOYSA-M |
| Molecular Formula | C14H21NaO3S |
Indoline 98.0+%, TCI America™
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CAS: 496-15-1 Molecular Formula: C8H9N Molecular Weight (g/mol): 119.167 MDL Number: MFCD00005705 InChI Key: LPAGFVYQRIESJQ-UHFFFAOYSA-N Synonym: indoline,2,3-dihydroindole,1-azaindan,dihydroindole,1h-indole, 2,3-dihydro,azaindane,benzopyrrolidine,aza-indane,indoline, 19,pubchem7502 PubChem CID: 10328 ChEBI: CHEBI:43295 IUPAC Name: 2,3-dihydro-1H-indole SMILES: C1CNC2=CC=CC=C21
| PubChem CID | 10328 |
|---|---|
| CAS | 496-15-1 |
| Molecular Weight (g/mol) | 119.167 |
| ChEBI | CHEBI:43295 |
| MDL Number | MFCD00005705 |
| SMILES | C1CNC2=CC=CC=C21 |
| Synonym | indoline,2,3-dihydroindole,1-azaindan,dihydroindole,1h-indole, 2,3-dihydro,azaindane,benzopyrrolidine,aza-indane,indoline, 19,pubchem7502 |
| IUPAC Name | 2,3-dihydro-1H-indole |
| InChI Key | LPAGFVYQRIESJQ-UHFFFAOYSA-N |
| Molecular Formula | C8H9N |
Decyl Methyl Sulfide 98.0+%, TCI America™
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CAS: 22438-39-7 Molecular Formula: C11H24S Molecular Weight (g/mol): 188.37 MDL Number: MFCD00026541 InChI Key: HKGUUZAACYBIID-UHFFFAOYSA-N Synonym: decyl methyl sulfide,n-decyl methyl sulfide,decyl methyl sulphide,1-methylsulfanyl decane,2-thiadodecane,decane, 1-methylthio,decylmethyl sulfide,n-decyl methyl sulphide,acmc-209fwh PubChem CID: 89712 IUPAC Name: 1-(methylsulfanyl)decane SMILES: CCCCCCCCCCSC
| PubChem CID | 89712 |
|---|---|
| CAS | 22438-39-7 |
| Molecular Weight (g/mol) | 188.37 |
| MDL Number | MFCD00026541 |
| SMILES | CCCCCCCCCCSC |
| Synonym | decyl methyl sulfide,n-decyl methyl sulfide,decyl methyl sulphide,1-methylsulfanyl decane,2-thiadodecane,decane, 1-methylthio,decylmethyl sulfide,n-decyl methyl sulphide,acmc-209fwh |
| IUPAC Name | 1-(methylsulfanyl)decane |
| InChI Key | HKGUUZAACYBIID-UHFFFAOYSA-N |
| Molecular Formula | C11H24S |
2-Aminoethanol Hydrochloride 98.0+%, TCI America™
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CAS: 2002-24-6 Molecular Formula: C2H8ClNO Molecular Weight (g/mol): 97.542 MDL Number: MFCD00012892 InChI Key: PMUNIMVZCACZBB-UHFFFAOYSA-N Synonym: 2-aminoethanol hydrochloride,ethanolamine hydrochloride,ethanolamine hcl,mea hydrochloride,monoethanolamine hydrochloride,ethanolamine chloride,colamine hydrochloride,ethanol, 2-amino-, hydrochloride,ethanolamine-hcl,2-hydroxyethylammonium chloride PubChem CID: 74819 IUPAC Name: 2-aminoethanol;hydrochloride SMILES: C(CO)N.Cl
| PubChem CID | 74819 |
|---|---|
| CAS | 2002-24-6 |
| Molecular Weight (g/mol) | 97.542 |
| MDL Number | MFCD00012892 |
| SMILES | C(CO)N.Cl |
| Synonym | 2-aminoethanol hydrochloride,ethanolamine hydrochloride,ethanolamine hcl,mea hydrochloride,monoethanolamine hydrochloride,ethanolamine chloride,colamine hydrochloride,ethanol, 2-amino-, hydrochloride,ethanolamine-hcl,2-hydroxyethylammonium chloride |
| IUPAC Name | 2-aminoethanol;hydrochloride |
| InChI Key | PMUNIMVZCACZBB-UHFFFAOYSA-N |
| Molecular Formula | C2H8ClNO |
L-Alanine Benzyl Ester p-Toluenesulfonate 98.0+%, TCI America™
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CAS: 42854-62-6 Molecular Formula: C17H21NO5S Molecular Weight (g/mol): 351.42 MDL Number: MFCD00066143,MFCD00066142 InChI Key: NWOPHJSSBMABBD-UHFFFAOYNA-N Synonym: l-alanine benzyl ester 4-toluenesulfonate,l-alanine benzyl ester p-toluenesulfonate,ala-obzl tosoh,l-alanine benzyl ester p-toluenesulfonate salt,l-alanine benzyl ester tosylate,h-ala-obzl.tosoh,s-benzyl 2-aminopropanoate 4-methylbenzenesulfonate,benzyl 2s-2-aminopropanoate 4-toluenesulfonate,l-ala-obel.tsoh,benzyl 2s-2-aminopropanoate; para-toluene sulfonate PubChem CID: 2802424 IUPAC Name: 4-methylbenzene-1-sulfonic acid; benzyl 2-aminopropanoate SMILES: CC1=CC=C(C=C1)S(O)(=O)=O.CC(N)C(=O)OCC1=CC=CC=C1
| PubChem CID | 2802424 |
|---|---|
| CAS | 42854-62-6 |
| Molecular Weight (g/mol) | 351.42 |
| MDL Number | MFCD00066143,MFCD00066142 |
| SMILES | CC1=CC=C(C=C1)S(O)(=O)=O.CC(N)C(=O)OCC1=CC=CC=C1 |
| Synonym | l-alanine benzyl ester 4-toluenesulfonate,l-alanine benzyl ester p-toluenesulfonate,ala-obzl tosoh,l-alanine benzyl ester p-toluenesulfonate salt,l-alanine benzyl ester tosylate,h-ala-obzl.tosoh,s-benzyl 2-aminopropanoate 4-methylbenzenesulfonate,benzyl 2s-2-aminopropanoate 4-toluenesulfonate,l-ala-obel.tsoh,benzyl 2s-2-aminopropanoate; para-toluene sulfonate |
| IUPAC Name | 4-methylbenzene-1-sulfonic acid; benzyl 2-aminopropanoate |
| InChI Key | NWOPHJSSBMABBD-UHFFFAOYNA-N |
| Molecular Formula | C17H21NO5S |