Benzenoids
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Atropic Acid 93.0+%, TCI America™
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CAS: 492-38-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00046531 InChI Key: ONPJWQSDZCGSQM-UHFFFAOYSA-N Synonym: 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid PubChem CID: 68114 IUPAC Name: 2-phenylprop-2-enoic acid SMILES: C=C(C1=CC=CC=C1)C(=O)O
| PubChem CID | 68114 |
|---|---|
| CAS | 492-38-6 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00046531 |
| SMILES | C=C(C1=CC=CC=C1)C(=O)O |
| Synonym | 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid |
| IUPAC Name | 2-phenylprop-2-enoic acid |
| InChI Key | ONPJWQSDZCGSQM-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-citrulline 98.0+%, TCI America™
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CAS: 133174-15-9 Molecular Formula: C21H23N3O5 Molecular Weight (g/mol): 397.431 MDL Number: MFCD00151943 InChI Key: NBMSMZSRTIOFOK-SFHVURJKSA-N Synonym: fmoc-cit-oh,fmoc-l-citrulline,nalpha-fmoc-l-citrulline,s-2-9h-fluoren-9-yl methoxy carbonyl amino-5-ureidopentanoic acid,l-ornithine, n5-aminocarbonyl-n2-9h-fluoren-9-ylmethoxy carbonyl,nalpha-9h-fluoren-9-ylmethoxy carbonyl-l-citrulline,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-5-ureido-pentanoic acid,2s-5-carbamoylamino-2-9h-fluoren-9-ylmethoxy carbonyl amino pentanoic acid,fmoc-citoh,pubchem19002 PubChem CID: 2756127 IUPAC Name: (2S)-5-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCNC(=O)N)C(=O)O
| PubChem CID | 2756127 |
|---|---|
| CAS | 133174-15-9 |
| Molecular Weight (g/mol) | 397.431 |
| MDL Number | MFCD00151943 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCNC(=O)N)C(=O)O |
| Synonym | fmoc-cit-oh,fmoc-l-citrulline,nalpha-fmoc-l-citrulline,s-2-9h-fluoren-9-yl methoxy carbonyl amino-5-ureidopentanoic acid,l-ornithine, n5-aminocarbonyl-n2-9h-fluoren-9-ylmethoxy carbonyl,nalpha-9h-fluoren-9-ylmethoxy carbonyl-l-citrulline,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-5-ureido-pentanoic acid,2s-5-carbamoylamino-2-9h-fluoren-9-ylmethoxy carbonyl amino pentanoic acid,fmoc-citoh,pubchem19002 |
| IUPAC Name | (2S)-5-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid |
| InChI Key | NBMSMZSRTIOFOK-SFHVURJKSA-N |
| Molecular Formula | C21H23N3O5 |
Allyl o-Tolyl Ether, TCI America™
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CAS: 936-72-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00026097 InChI Key: LQOGVESOGIHDSO-UHFFFAOYSA-N Synonym: 2-Allyloxytoluene PubChem CID: 136749 IUPAC Name: 1-methyl-2-prop-2-enoxybenzene SMILES: CC1=CC=CC=C1OCC=C
| PubChem CID | 136749 |
|---|---|
| CAS | 936-72-1 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00026097 |
| SMILES | CC1=CC=CC=C1OCC=C |
| Synonym | 2-Allyloxytoluene |
| IUPAC Name | 1-methyl-2-prop-2-enoxybenzene |
| InChI Key | LQOGVESOGIHDSO-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Allyl p-Tolyl Ether 95.0+%, TCI America™
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CAS: 23431-48-3 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00026098 InChI Key: AROCNZZBLCAOPH-UHFFFAOYSA-N Synonym: 4-Allyloxytoluene PubChem CID: 262070 IUPAC Name: 1-methyl-4-prop-2-enoxybenzene SMILES: CC1=CC=C(C=C1)OCC=C
| PubChem CID | 262070 |
|---|---|
| CAS | 23431-48-3 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00026098 |
| SMILES | CC1=CC=C(C=C1)OCC=C |
| Synonym | 4-Allyloxytoluene |
| IUPAC Name | 1-methyl-4-prop-2-enoxybenzene |
| InChI Key | AROCNZZBLCAOPH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4-(Trifluoromethyl)styrene (stabilized with TBC) 98.0+%, TCI America™
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CAS: 402-50-6 Molecular Formula: C9H7F3 Molecular Weight (g/mol): 172.15 MDL Number: MFCD00075539 InChI Key: CEWDRCQPGANDRS-UHFFFAOYSA-N Synonym: 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr PubChem CID: 2782798 IUPAC Name: 1-ethenyl-4-(trifluoromethyl)benzene SMILES: C=CC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 2782798 |
|---|---|
| CAS | 402-50-6 |
| Molecular Weight (g/mol) | 172.15 |
| MDL Number | MFCD00075539 |
| SMILES | C=CC1=CC=C(C=C1)C(F)(F)F |
| Synonym | 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr |
| IUPAC Name | 1-ethenyl-4-(trifluoromethyl)benzene |
| InChI Key | CEWDRCQPGANDRS-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3 |
3,5-Difluorobenzyl Alcohol 98.0+%, TCI America™
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CAS: 79538-20-8 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.121 MDL Number: MFCD00010313 InChI Key: LOGIHEKXJKHXEC-UHFFFAOYSA-N Synonym: 3,5-difluorobenzyl alcohol,3,5-difluorophenyl methanol,benzenemethanol, 3,5-difluoro,3,5-difluorophenyl methan-1-ol,3,5-difluorobenzylalcohol,3, 5-difluorobenzyl alcohol,pubchem4918,acmc-1baxh,ksc493g5j,3,5-difluoro-phenyl methanol PubChem CID: 522721 IUPAC Name: (3,5-difluorophenyl)methanol SMILES: C1=C(C=C(C=C1F)F)CO
| PubChem CID | 522721 |
|---|---|
| CAS | 79538-20-8 |
| Molecular Weight (g/mol) | 144.121 |
| MDL Number | MFCD00010313 |
| SMILES | C1=C(C=C(C=C1F)F)CO |
| Synonym | 3,5-difluorobenzyl alcohol,3,5-difluorophenyl methanol,benzenemethanol, 3,5-difluoro,3,5-difluorophenyl methan-1-ol,3,5-difluorobenzylalcohol,3, 5-difluorobenzyl alcohol,pubchem4918,acmc-1baxh,ksc493g5j,3,5-difluoro-phenyl methanol |
| IUPAC Name | (3,5-difluorophenyl)methanol |
| InChI Key | LOGIHEKXJKHXEC-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2O |
2-Hydroxyethyl Salicylate 98.0+%, TCI America™
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CAS: 87-28-5 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002862 InChI Key: LVYLCBNXHHHPSB-UHFFFAOYSA-N Synonym: 2-hydroxyethyl salicylate,glycol salicylate,ethylene glycol monosalicylate,espirosal,glycol monosalicylate,rheumacyl,sarocol,spirosal,glysal,phlogont PubChem CID: 6880 ChEBI: CHEBI:86541 IUPAC Name: 2-hydroxyethyl 2-hydroxybenzoate SMILES: OCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 6880 |
|---|---|
| CAS | 87-28-5 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:86541 |
| MDL Number | MFCD00002862 |
| SMILES | OCCOC(=O)C1=CC=CC=C1O |
| Synonym | 2-hydroxyethyl salicylate,glycol salicylate,ethylene glycol monosalicylate,espirosal,glycol monosalicylate,rheumacyl,sarocol,spirosal,glysal,phlogont |
| IUPAC Name | 2-hydroxyethyl 2-hydroxybenzoate |
| InChI Key | LVYLCBNXHHHPSB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
3-Chlorobenzophenone 98.0+%, TCI America™
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CAS: 1016-78-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00009816 InChI Key: CPLWKNRPZVNELG-UHFFFAOYSA-N Synonym: 3-chlorobenzophenone,3-chlorophenyl phenyl methanone,benzophenone, 3-chloro,methanone, 3-chlorophenyl phenyl,m-chlorobenzophenone,3-chlorophenyl-phenylmethanone,methanone, 3-chlorophenyl pheny,3-chlorophenyl phenyl ketone,5-chlorobenzophenone,pubchem24414 PubChem CID: 66098 IUPAC Name: (3-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl
| PubChem CID | 66098 |
|---|---|
| CAS | 1016-78-0 |
| Molecular Weight (g/mol) | 216.664 |
| MDL Number | MFCD00009816 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl |
| Synonym | 3-chlorobenzophenone,3-chlorophenyl phenyl methanone,benzophenone, 3-chloro,methanone, 3-chlorophenyl phenyl,m-chlorobenzophenone,3-chlorophenyl-phenylmethanone,methanone, 3-chlorophenyl pheny,3-chlorophenyl phenyl ketone,5-chlorobenzophenone,pubchem24414 |
| IUPAC Name | (3-chlorophenyl)-phenylmethanone |
| InChI Key | CPLWKNRPZVNELG-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO |
4-Methoxy-2-(trifluoromethyl)benzaldehyde 97.0+%, TCI America™
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CAS: 106312-36-1 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD01091011 InChI Key: BVPVUMRIGHMFNV-UHFFFAOYSA-N Synonym: 4-methoxy-2-trifluoromethyl benzaldehyde,benzaldehyde, 4-methoxy-2-trifluoromethyl,4-formyl-3-trifluoromethyl anisole,pubchem1463,acmc-1c5gx,ksc504i7t,2-formyl-5-methoxybenzotrifluoride,4-methoxy-2-trifluoromethyl-benzaldehyde,benzaldehyde,4-methoxy-2-trifluoromethyl PubChem CID: 2778286 IUPAC Name: 4-methoxy-2-(trifluoromethyl)benzaldehyde SMILES: COC1=CC(=C(C=C1)C=O)C(F)(F)F
| PubChem CID | 2778286 |
|---|---|
| CAS | 106312-36-1 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD01091011 |
| SMILES | COC1=CC(=C(C=C1)C=O)C(F)(F)F |
| Synonym | 4-methoxy-2-trifluoromethyl benzaldehyde,benzaldehyde, 4-methoxy-2-trifluoromethyl,4-formyl-3-trifluoromethyl anisole,pubchem1463,acmc-1c5gx,ksc504i7t,2-formyl-5-methoxybenzotrifluoride,4-methoxy-2-trifluoromethyl-benzaldehyde,benzaldehyde,4-methoxy-2-trifluoromethyl |
| IUPAC Name | 4-methoxy-2-(trifluoromethyl)benzaldehyde |
| InChI Key | BVPVUMRIGHMFNV-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
2,4,6-Tribromophenyl Acrylate 98.0+%, TCI America™
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CAS: 3741-77-3 Molecular Formula: C9H5Br3O2 Molecular Weight (g/mol): 384.849 MDL Number: MFCD00078430 InChI Key: CNLVUQQHXLTOTC-UHFFFAOYSA-N Synonym: Acrylic Acid 2,4,6-Tribromophenyl Ester PubChem CID: 77343 IUPAC Name: (2,4,6-tribromophenyl) prop-2-enoate SMILES: C=CC(=O)OC1=C(C=C(C=C1Br)Br)Br
| PubChem CID | 77343 |
|---|---|
| CAS | 3741-77-3 |
| Molecular Weight (g/mol) | 384.849 |
| MDL Number | MFCD00078430 |
| SMILES | C=CC(=O)OC1=C(C=C(C=C1Br)Br)Br |
| Synonym | Acrylic Acid 2,4,6-Tribromophenyl Ester |
| IUPAC Name | (2,4,6-tribromophenyl) prop-2-enoate |
| InChI Key | CNLVUQQHXLTOTC-UHFFFAOYSA-N |
| Molecular Formula | C9H5Br3O2 |
1,3-Dichloro-5-iodobenzene 98.0+%, TCI America™
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CAS: 3032-81-3 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00001047 InChI Key: AATPRMRVLQZEHB-UHFFFAOYSA-N Synonym: 3,5-dichloroiodobenzene,3,5-dichlorophenyl iodide,benzene, 1,3-dichloro-5-iodo,1,3-dichloro-5-iodo-benzene,3,5-dichloro-1-iodobenzene,pubchem3693,acmc-209hev,3,5-dichloro iodobenzene,3,5-dichloro-iodobenzene,3,5-dichloro-iodo-benzene PubChem CID: 76424 IUPAC Name: 1,3-dichloro-5-iodobenzene SMILES: ClC1=CC(I)=CC(Cl)=C1
| PubChem CID | 76424 |
|---|---|
| CAS | 3032-81-3 |
| Molecular Weight (g/mol) | 272.89 |
| MDL Number | MFCD00001047 |
| SMILES | ClC1=CC(I)=CC(Cl)=C1 |
| Synonym | 3,5-dichloroiodobenzene,3,5-dichlorophenyl iodide,benzene, 1,3-dichloro-5-iodo,1,3-dichloro-5-iodo-benzene,3,5-dichloro-1-iodobenzene,pubchem3693,acmc-209hev,3,5-dichloro iodobenzene,3,5-dichloro-iodobenzene,3,5-dichloro-iodo-benzene |
| IUPAC Name | 1,3-dichloro-5-iodobenzene |
| InChI Key | AATPRMRVLQZEHB-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |
Nimesulide 98.0+%, TCI America™
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CAS: 51803-78-2 Molecular Formula: C13H12N2O5S Molecular Weight (g/mol): 308.308 MDL Number: MFCD00079470 InChI Key: HYWYRSMBCFDLJT-UHFFFAOYSA-N Synonym: nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish PubChem CID: 4495 ChEBI: CHEBI:44445 IUPAC Name: N-(4-nitro-2-phenoxyphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
| PubChem CID | 4495 |
|---|---|
| CAS | 51803-78-2 |
| Molecular Weight (g/mol) | 308.308 |
| ChEBI | CHEBI:44445 |
| MDL Number | MFCD00079470 |
| SMILES | CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 |
| Synonym | nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish |
| IUPAC Name | N-(4-nitro-2-phenoxyphenyl)methanesulfonamide |
| InChI Key | HYWYRSMBCFDLJT-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O5S |
Monomethyl Terephthalate 98.0+%, TCI America™
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CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 15513 |
|---|---|
| CAS | 1679-64-7 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00002557 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate |
| IUPAC Name | 4-methoxycarbonylbenzoic acid |
| InChI Key | REIDAMBAPLIATC-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
2,6-Dimethyl-4-nitrophenol 98.0+%, TCI America™
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CAS: 2423-71-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007339 InChI Key: FNORUNUDZNWQFF-UHFFFAOYSA-N Synonym: 4-nitro-2,6-xylenol,2,6-xylenol, 4-nitro,4-nitro-2,6-dimethylphenol,phenol, 2,6-dimethyl-4-nitro,phenol,2,6-dimethyl-4-nitro,acmc-1cljn,2, 4-nitro,intermediates-zcf02651,2,6-dimethyl4-nitrophenol,phenol,6-dimethyl-4-nitro PubChem CID: 17030 IUPAC Name: 2,6-dimethyl-4-nitrophenol SMILES: CC1=CC(=CC(=C1O)C)[N+](=O)[O-]
| PubChem CID | 17030 |
|---|---|
| CAS | 2423-71-4 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00007339 |
| SMILES | CC1=CC(=CC(=C1O)C)[N+](=O)[O-] |
| Synonym | 4-nitro-2,6-xylenol,2,6-xylenol, 4-nitro,4-nitro-2,6-dimethylphenol,phenol, 2,6-dimethyl-4-nitro,phenol,2,6-dimethyl-4-nitro,acmc-1cljn,2, 4-nitro,intermediates-zcf02651,2,6-dimethyl4-nitrophenol,phenol,6-dimethyl-4-nitro |
| IUPAC Name | 2,6-dimethyl-4-nitrophenol |
| InChI Key | FNORUNUDZNWQFF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
2-Naphthalenesulfonyl Chloride 98.0+%, TCI America™
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CAS: 93-11-8 Molecular Formula: C10H7ClO2S Molecular Weight (g/mol): 226.67 MDL Number: MFCD00004087 InChI Key: OPECTNGATDYLSS-UHFFFAOYSA-N Synonym: 2-naphthalenesulfonyl chloride,2-naphthylsulfonyl chloride,beta-naphthalenesulfonyl chloride,naphthalene-2-sulfonic acid chloride,.beta.-naphthalenesulfochloride,naphthalene-2-sulphonyl chloride,2-naphthalenesulfonylchloride,2-naphthalenylsulfonyl chloride,2-naphthalene sulfonyl chloride,.beta.-naphthalenesulfonyl chloride PubChem CID: 7125 IUPAC Name: naphthalene-2-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C2C=CC=CC2=C1
| PubChem CID | 7125 |
|---|---|
| CAS | 93-11-8 |
| Molecular Weight (g/mol) | 226.67 |
| MDL Number | MFCD00004087 |
| SMILES | ClS(=O)(=O)C1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthalenesulfonyl chloride,2-naphthylsulfonyl chloride,beta-naphthalenesulfonyl chloride,naphthalene-2-sulfonic acid chloride,.beta.-naphthalenesulfochloride,naphthalene-2-sulphonyl chloride,2-naphthalenesulfonylchloride,2-naphthalenylsulfonyl chloride,2-naphthalene sulfonyl chloride,.beta.-naphthalenesulfonyl chloride |
| IUPAC Name | naphthalene-2-sulfonyl chloride |
| InChI Key | OPECTNGATDYLSS-UHFFFAOYSA-N |
| Molecular Formula | C10H7ClO2S |