Benzenoids
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3,4-Diethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 5409-31-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00002504 InChI Key: VVKCVAPLTRZJHH-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid PubChem CID: 79417 IUPAC Name: 3,4-diethoxybenzoic acid SMILES: CCOC1=C(C=C(C=C1)C(=O)O)OCC
| PubChem CID | 79417 |
|---|---|
| CAS | 5409-31-4 |
| Molecular Weight (g/mol) | 210.229 |
| MDL Number | MFCD00002504 |
| SMILES | CCOC1=C(C=C(C=C1)C(=O)O)OCC |
| Synonym | benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid |
| IUPAC Name | 3,4-diethoxybenzoic acid |
| InChI Key | VVKCVAPLTRZJHH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
4-Ethylbenzoic Acid 98.0+%, TCI America™
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CAS: 619-64-7 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 12086 |
|---|---|
| CAS | 619-64-7 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00002570 |
| SMILES | CCC1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; |
| IUPAC Name | 4-ethylbenzoic acid |
| InChI Key | ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Fenhexamid 98.0+%, TCI America™
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CAS: 126833-17-8 Molecular Formula: C14H17Cl2NO2 Molecular Weight (g/mol): 302.20 MDL Number: MFCD03095700 InChI Key: VDLGAVXLJYLFDH-UHFFFAOYSA-N Synonym: fenhexamid,elevate,teldor,n-2,3-dichloro-4-hydroxyphenyl-1-methylcyclohexanecarboxamide,fenhexamide,decree,fenhexamid iso:bsi,unii-q68c3c9p1u,cyclohexanecarboxamide, n-2,3-dichloro-4-hydroxyphenyl-1-methyl,n-2,3-dichloro-4-hydroxyphenyl-1-methylcyclohexane-1-carboxamide PubChem CID: 213031 ChEBI: CHEBI:81853 IUPAC Name: N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide SMILES: CC1(CCCCC1)C(=O)NC1=CC=C(O)C(Cl)=C1Cl
| PubChem CID | 213031 |
|---|---|
| CAS | 126833-17-8 |
| Molecular Weight (g/mol) | 302.20 |
| ChEBI | CHEBI:81853 |
| MDL Number | MFCD03095700 |
| SMILES | CC1(CCCCC1)C(=O)NC1=CC=C(O)C(Cl)=C1Cl |
| Synonym | fenhexamid,elevate,teldor,n-2,3-dichloro-4-hydroxyphenyl-1-methylcyclohexanecarboxamide,fenhexamide,decree,fenhexamid iso:bsi,unii-q68c3c9p1u,cyclohexanecarboxamide, n-2,3-dichloro-4-hydroxyphenyl-1-methyl,n-2,3-dichloro-4-hydroxyphenyl-1-methylcyclohexane-1-carboxamide |
| IUPAC Name | N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide |
| InChI Key | VDLGAVXLJYLFDH-UHFFFAOYSA-N |
| Molecular Formula | C14H17Cl2NO2 |
4,4'-Methylenebis(benzenesulfonyl Chloride) 95.0+%, TCI America™
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CAS: 3119-64-0 Molecular Formula: C13H10Cl2O4S2 Molecular Weight (g/mol): 365.24 MDL Number: MFCD00012363 InChI Key: YKMMQCFZCFAHOU-UHFFFAOYSA-N Synonym: Bis(4-chlorosulfonylphenyl)methane PubChem CID: 3368486 IUPAC Name: 4-{[4-(chlorosulfonyl)phenyl]methyl}benzene-1-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C(CC2=CC=C(C=C2)S(Cl)(=O)=O)C=C1
| PubChem CID | 3368486 |
|---|---|
| CAS | 3119-64-0 |
| Molecular Weight (g/mol) | 365.24 |
| MDL Number | MFCD00012363 |
| SMILES | ClS(=O)(=O)C1=CC=C(CC2=CC=C(C=C2)S(Cl)(=O)=O)C=C1 |
| Synonym | Bis(4-chlorosulfonylphenyl)methane |
| IUPAC Name | 4-{[4-(chlorosulfonyl)phenyl]methyl}benzene-1-sulfonyl chloride |
| InChI Key | YKMMQCFZCFAHOU-UHFFFAOYSA-N |
| Molecular Formula | C13H10Cl2O4S2 |
4-Chloro-3-nitrophenol 98.0+%, TCI America™
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CAS: 610-78-6 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.552 MDL Number: MFCD00043546 InChI Key: JUIKCULGDIZNDI-UHFFFAOYSA-N Synonym: phenol, 4-chloro-3-nitro,4-chloro-3-nitro-phenol,4chloro-3-nitrophenol,pubchem10459,4-chlor-3-nitro-phenol,3-nitro-4-chloro phenol,acmc-1azj5,phenol,4-chloro-3-nitro,4-chloranyl-3-nitro-phenol,2-chloro-5-hydroxy nitrobenzene PubChem CID: 69127 IUPAC Name: 4-chloro-3-nitrophenol SMILES: C1=CC(=C(C=C1O)[N+](=O)[O-])Cl
| PubChem CID | 69127 |
|---|---|
| CAS | 610-78-6 |
| Molecular Weight (g/mol) | 173.552 |
| MDL Number | MFCD00043546 |
| SMILES | C1=CC(=C(C=C1O)[N+](=O)[O-])Cl |
| Synonym | phenol, 4-chloro-3-nitro,4-chloro-3-nitro-phenol,4chloro-3-nitrophenol,pubchem10459,4-chlor-3-nitro-phenol,3-nitro-4-chloro phenol,acmc-1azj5,phenol,4-chloro-3-nitro,4-chloranyl-3-nitro-phenol,2-chloro-5-hydroxy nitrobenzene |
| IUPAC Name | 4-chloro-3-nitrophenol |
| InChI Key | JUIKCULGDIZNDI-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO3 |
Bis(3-bromophenyl)acetylene 97.0+%, TCI America™
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CAS: 153404-60-5 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.03 MDL Number: MFCD11111154 InChI Key: WSXUXTVJTIPBAF-UHFFFAOYSA-N PubChem CID: 12022272 IUPAC Name: 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene SMILES: BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1
| PubChem CID | 12022272 |
|---|---|
| CAS | 153404-60-5 |
| Molecular Weight (g/mol) | 336.03 |
| MDL Number | MFCD11111154 |
| SMILES | BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1 |
| IUPAC Name | 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene |
| InChI Key | WSXUXTVJTIPBAF-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2 |
Sulfasalazine 95.0+%, TCI America™
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CAS: 599-79-1 Molecular Formula: C18H14N4O5S Molecular Weight (g/mol): 398.393 MDL Number: MFCD00057363 InChI Key: OQANPHBRHBJGNZ-UHFFFAOYSA-N Synonym: sulfasalazine,salazosulfapyridine,azulfidine,salicylazosulfapyridine,salazopyridin,salazopyrin,asulfidine,sulfazalazine,sulphasalazine,accucol PubChem CID: 5384001 IUPAC Name: 6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid SMILES: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O
| PubChem CID | 5384001 |
|---|---|
| CAS | 599-79-1 |
| Molecular Weight (g/mol) | 398.393 |
| MDL Number | MFCD00057363 |
| SMILES | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O |
| Synonym | sulfasalazine,salazosulfapyridine,azulfidine,salicylazosulfapyridine,salazopyridin,salazopyrin,asulfidine,sulfazalazine,sulphasalazine,accucol |
| IUPAC Name | 6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid |
| InChI Key | OQANPHBRHBJGNZ-UHFFFAOYSA-N |
| Molecular Formula | C18H14N4O5S |
4,4'-Stilbenedicarboxylic Acid 95.0+%, TCI America™
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CAS: 100-31-2 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.268 MDL Number: MFCD00013994 InChI Key: SBBQDUFLZGOASY-OWOJBTEDSA-N Synonym: 4,4'-stilbenedicarboxylic acid,stilbene-4,4'-dicarboxylic acid,4-e-2-4-carboxyphenyl ethenyl benzoic acid,4,4'-ethene-1,2-diyl dibenzoic acid,4,4'-stilbenedicarboxylicacid,z-4,4'-ethene-1,2-diyl dibenzoic acid,4-1e-2-4-carboxyphenyl vinyl benzoic acid,4,4'-ethene-1,2-diyldibenzoicacid,cis-stilbene-4,4'-dicarboxylic acid,4,4'-dicarboxystilbene PubChem CID: 5374688 IUPAC Name: 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O
| PubChem CID | 5374688 |
|---|---|
| CAS | 100-31-2 |
| Molecular Weight (g/mol) | 268.268 |
| MDL Number | MFCD00013994 |
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O |
| Synonym | 4,4'-stilbenedicarboxylic acid,stilbene-4,4'-dicarboxylic acid,4-e-2-4-carboxyphenyl ethenyl benzoic acid,4,4'-ethene-1,2-diyl dibenzoic acid,4,4'-stilbenedicarboxylicacid,z-4,4'-ethene-1,2-diyl dibenzoic acid,4-1e-2-4-carboxyphenyl vinyl benzoic acid,4,4'-ethene-1,2-diyldibenzoicacid,cis-stilbene-4,4'-dicarboxylic acid,4,4'-dicarboxystilbene |
| IUPAC Name | 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid |
| InChI Key | SBBQDUFLZGOASY-OWOJBTEDSA-N |
| Molecular Formula | C16H12O4 |
Methyl 3,4-Dihydroxybenzoate 98.0+%, TCI America™
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CAS: 2150-43-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016437 InChI Key: CUFLZUDASVUNOE-UHFFFAOYSA-N Synonym: methyl protocatechuate,protocatechuic acid, methyl ester,3,4-dihydroxybenzoic acid methyl ester,protocatechuic acid methyl ester,benzoic acid, 3,4-dihydroxy-, methyl ester,3,4-dihydroxymethylbenzoate,3,4-dihydroxybenzoic acid methyl,mdhb,methyl 3,4-dihydroxy,acmc-1cfbz PubChem CID: 287064 IUPAC Name: methyl 3,4-dihydroxybenzoate SMILES: COC(=O)C1=CC=C(O)C(O)=C1
| PubChem CID | 287064 |
|---|---|
| CAS | 2150-43-8 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016437 |
| SMILES | COC(=O)C1=CC=C(O)C(O)=C1 |
| Synonym | methyl protocatechuate,protocatechuic acid, methyl ester,3,4-dihydroxybenzoic acid methyl ester,protocatechuic acid methyl ester,benzoic acid, 3,4-dihydroxy-, methyl ester,3,4-dihydroxymethylbenzoate,3,4-dihydroxybenzoic acid methyl,mdhb,methyl 3,4-dihydroxy,acmc-1cfbz |
| IUPAC Name | methyl 3,4-dihydroxybenzoate |
| InChI Key | CUFLZUDASVUNOE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
Alizarin Cyanin Green F, TCI America™
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CAS: 4403-90-1 Molecular Formula: C28H20N2Na2O8S2 Molecular Weight (g/mol): 622.574 MDL Number: MFCD00001193 InChI Key: FPAYXBWMYIMERV-UHFFFAOYSA-L Synonym: Acid Green 25 PubChem CID: 20431 IUPAC Name: disodium;5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate SMILES: CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 20431 |
|---|---|
| CAS | 4403-90-1 |
| Molecular Weight (g/mol) | 622.574 |
| MDL Number | MFCD00001193 |
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | Acid Green 25 |
| IUPAC Name | disodium;5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate |
| InChI Key | FPAYXBWMYIMERV-UHFFFAOYSA-L |
| Molecular Formula | C28H20N2Na2O8S2 |
3,5-Bis(4-nitrophenoxy)benzoic Acid 98.0+%, TCI America™
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CAS: 173550-33-9 Molecular Formula: C19H12N2O8 Molecular Weight (g/mol): 396.31 MDL Number: MFCD02093450 InChI Key: JOSXKPZXMVHRKU-UHFFFAOYSA-N Synonym: 3,5-bis 4-nitrophenoxy benzoic acid,gamma-secretase modulator, cw,cw,acmc-1cuip,josxkpzxmvhrku-uhfffaoysa PubChem CID: 16760376 IUPAC Name: 3,5-bis(4-nitrophenoxy)benzoic acid SMILES: OC(=O)C1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=C1
| PubChem CID | 16760376 |
|---|---|
| CAS | 173550-33-9 |
| Molecular Weight (g/mol) | 396.31 |
| MDL Number | MFCD02093450 |
| SMILES | OC(=O)C1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=C1 |
| Synonym | 3,5-bis 4-nitrophenoxy benzoic acid,gamma-secretase modulator, cw,cw,acmc-1cuip,josxkpzxmvhrku-uhfffaoysa |
| IUPAC Name | 3,5-bis(4-nitrophenoxy)benzoic acid |
| InChI Key | JOSXKPZXMVHRKU-UHFFFAOYSA-N |
| Molecular Formula | C19H12N2O8 |
4,4'-Isopropylidenediphenoxyacetic Acid 98.0+%, TCI America™
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CAS: 3539-42-2 Molecular Formula: C19H20O6 Molecular Weight (g/mol): 344.36 MDL Number: MFCD00060114 InChI Key: ZYGPJSLWIIMUMO-UHFFFAOYSA-N Synonym: Bisphenol A O,O-Diacetic Acid PubChem CID: 12359775 IUPAC Name: 2-(4-{2-[4-(carboxymethoxy)phenyl]propan-2-yl}phenoxy)acetic acid SMILES: CC(C)(C1=CC=C(OCC(O)=O)C=C1)C1=CC=C(OCC(O)=O)C=C1
| PubChem CID | 12359775 |
|---|---|
| CAS | 3539-42-2 |
| Molecular Weight (g/mol) | 344.36 |
| MDL Number | MFCD00060114 |
| SMILES | CC(C)(C1=CC=C(OCC(O)=O)C=C1)C1=CC=C(OCC(O)=O)C=C1 |
| Synonym | Bisphenol A O,O-Diacetic Acid |
| IUPAC Name | 2-(4-{2-[4-(carboxymethoxy)phenyl]propan-2-yl}phenoxy)acetic acid |
| InChI Key | ZYGPJSLWIIMUMO-UHFFFAOYSA-N |
| Molecular Formula | C19H20O6 |
4-Bromo-2-fluorobenzonitrile 98.0+%, TCI America™
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CAS: 105942-08-3 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00143264 InChI Key: HGXWRDPQFZKOLZ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t PubChem CID: 736029 IUPAC Name: 4-bromo-2-fluorobenzonitrile SMILES: FC1=CC(Br)=CC=C1C#N
| PubChem CID | 736029 |
|---|---|
| CAS | 105942-08-3 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD00143264 |
| SMILES | FC1=CC(Br)=CC=C1C#N |
| Synonym | 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t |
| IUPAC Name | 4-bromo-2-fluorobenzonitrile |
| InChI Key | HGXWRDPQFZKOLZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
4-Bromo-2,6-dichlorobenzoic Acid 98.0+%, TCI America™
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CAS: 232275-51-3 Molecular Formula: C7H3BrCl2O2 Molecular Weight (g/mol): 269.903 MDL Number: MFCD11227148 InChI Key: SSWALODYSQLVPK-UHFFFAOYSA-N PubChem CID: 22571822 IUPAC Name: 4-bromo-2,6-dichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Br
| PubChem CID | 22571822 |
|---|---|
| CAS | 232275-51-3 |
| Molecular Weight (g/mol) | 269.903 |
| MDL Number | MFCD11227148 |
| SMILES | C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Br |
| IUPAC Name | 4-bromo-2,6-dichlorobenzoic acid |
| InChI Key | SSWALODYSQLVPK-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrCl2O2 |
3,5-Dinitrosalicylic Acid 98.0+%, TCI America™
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CAS: 609-99-4 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.116 MDL Number: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Synonym: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
| PubChem CID | 11873 |
|---|---|
| CAS | 609-99-4 |
| Molecular Weight (g/mol) | 228.116 |
| ChEBI | CHEBI:53648 |
| MDL Number | MFCD00007104 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-] |
| Synonym | 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid |
| InChI Key | LWFUFLREGJMOIZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4N2O7 |