Benzenoids
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Dimethyl 1,5-Naphthalenedisulfonate 98.0+%, TCI America™
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CAS: 20779-13-9 Molecular Formula: C12H12O6S2 Molecular Weight (g/mol): 316.342 MDL Number: MFCD00059544 InChI Key: HCXPJMZQMWIBMO-UHFFFAOYSA-N Synonym: 1,5-Naphthalenedisulfonic Acid Dimethyl Ester PubChem CID: 245329 IUPAC Name: dimethyl naphthalene-1,5-disulfonate SMILES: COS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC
| PubChem CID | 245329 |
|---|---|
| CAS | 20779-13-9 |
| Molecular Weight (g/mol) | 316.342 |
| MDL Number | MFCD00059544 |
| SMILES | COS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC |
| Synonym | 1,5-Naphthalenedisulfonic Acid Dimethyl Ester |
| IUPAC Name | dimethyl naphthalene-1,5-disulfonate |
| InChI Key | HCXPJMZQMWIBMO-UHFFFAOYSA-N |
| Molecular Formula | C12H12O6S2 |
2-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 1993-03-9 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00674013 InChI Key: QCSLIRFWJPOENV-UHFFFAOYSA-N Synonym: 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro PubChem CID: 2734354 IUPAC Name: (2-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1F
| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| SMILES | OB(O)C1=CC=CC=C1F |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
(4-Chlorophenylsulfonyl)urea 97.0+%, TCI America™
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CAS: 22663-37-2 Molecular Formula: C7H7ClN2O3S Molecular Weight (g/mol): 234.654 MDL Number: MFCD00518656 InChI Key: AZEPYUPSYWCRBG-UHFFFAOYSA-N Synonym: 4-chlorobenzenesulfonylurea,4-chlorophenylsulfonyl urea,1-4-chlorobenzenesulfonyl urea,4-chlorobenzenesulfonyl urea,n-carbamoyl-4-chlorobenzenesulfonamide,p-chlorobenzenesulfonyl urea,p-chlorobenzene sulfonyl urea,n-aminocarbonyl-4-chlorobenzenesulphonamide,benzenesulfonamide, n-aminocarbonyl-4-chloro,amino-n-4-chlorophenyl sulfonyl amide PubChem CID: 89785 IUPAC Name: (4-chlorophenyl)sulfonylurea SMILES: C1=CC(=CC=C1S(=O)(=O)NC(=O)N)Cl
| PubChem CID | 89785 |
|---|---|
| CAS | 22663-37-2 |
| Molecular Weight (g/mol) | 234.654 |
| MDL Number | MFCD00518656 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)NC(=O)N)Cl |
| Synonym | 4-chlorobenzenesulfonylurea,4-chlorophenylsulfonyl urea,1-4-chlorobenzenesulfonyl urea,4-chlorobenzenesulfonyl urea,n-carbamoyl-4-chlorobenzenesulfonamide,p-chlorobenzenesulfonyl urea,p-chlorobenzene sulfonyl urea,n-aminocarbonyl-4-chlorobenzenesulphonamide,benzenesulfonamide, n-aminocarbonyl-4-chloro,amino-n-4-chlorophenyl sulfonyl amide |
| IUPAC Name | (4-chlorophenyl)sulfonylurea |
| InChI Key | AZEPYUPSYWCRBG-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2O3S |
2-(3-Fluorophenyl)ethyl Bromide 97.0+%, TCI America™
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CAS: 25017-13-4 Molecular Formula: C8H8BrF Molecular Weight (g/mol): 203.054 MDL Number: MFCD03095397 InChI Key: GLVSPVSJMYQIPJ-UHFFFAOYSA-N Synonym: 1-(2-Bromoethyl)-3-fluorobenzene, 3-Fluorophenethyl Bromide PubChem CID: 573129 IUPAC Name: 1-(2-bromoethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CCBr
| PubChem CID | 573129 |
|---|---|
| CAS | 25017-13-4 |
| Molecular Weight (g/mol) | 203.054 |
| MDL Number | MFCD03095397 |
| SMILES | C1=CC(=CC(=C1)F)CCBr |
| Synonym | 1-(2-Bromoethyl)-3-fluorobenzene, 3-Fluorophenethyl Bromide |
| IUPAC Name | 1-(2-bromoethyl)-3-fluorobenzene |
| InChI Key | GLVSPVSJMYQIPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrF |
2-Chloro-3-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
| PubChem CID | 19870 |
|---|---|
| CAS | 3970-35-2 |
| Molecular Weight (g/mol) | 201.562 |
| MDL Number | MFCD00007069 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O |
| Synonym | 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid |
| InChI Key | JRQDVRIQJJPHEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO4 |
4-Bromo-1,8-naphthalic Anhydride 95.0+%, TCI America™
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CAS: 81-86-7 Molecular Formula: C12H5BrO3 Molecular Weight (g/mol): 277.073 MDL Number: MFCD00006927 InChI Key: DTUOTSLAFJCQHN-UHFFFAOYSA-N Synonym: 4-Bromo-1,8-naphthalenedicarboxylic Anhydride PubChem CID: 66493 SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Br
| PubChem CID | 66493 |
|---|---|
| CAS | 81-86-7 |
| Molecular Weight (g/mol) | 277.073 |
| MDL Number | MFCD00006927 |
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Br |
| Synonym | 4-Bromo-1,8-naphthalenedicarboxylic Anhydride |
| InChI Key | DTUOTSLAFJCQHN-UHFFFAOYSA-N |
| Molecular Formula | C12H5BrO3 |
4-Bromophenylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 622-88-8 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.498 MDL Number: MFCD00012941 InChI Key: RGGOWBBBHWTTRE-UHFFFAOYSA-N Synonym: 4-bromophenylhydrazine hydrochloride,4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazine hcl,4-bromo phenyl hydrazine hydrochloride,p-bromophenylhydrazine monohydrochloride,hydrazine, 4-bromophenyl-, monohydrochloride,1-4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazinehydrochloride,p-bromophenylhydrazine hydrochloride PubChem CID: 12157 IUPAC Name: (4-bromophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC=C1NN)Br.Cl
| PubChem CID | 12157 |
|---|---|
| CAS | 622-88-8 |
| Molecular Weight (g/mol) | 223.498 |
| MDL Number | MFCD00012941 |
| SMILES | C1=CC(=CC=C1NN)Br.Cl |
| Synonym | 4-bromophenylhydrazine hydrochloride,4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazine hcl,4-bromo phenyl hydrazine hydrochloride,p-bromophenylhydrazine monohydrochloride,hydrazine, 4-bromophenyl-, monohydrochloride,1-4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazinehydrochloride,p-bromophenylhydrazine hydrochloride |
| IUPAC Name | (4-bromophenyl)hydrazine;hydrochloride |
| InChI Key | RGGOWBBBHWTTRE-UHFFFAOYSA-N |
| Molecular Formula | C6H8BrClN2 |
4-Ethylphenol 97.0+%, TCI America™
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CAS: 123-07-9 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00002393 InChI Key: HXDOZKJGKXYMEW-UHFFFAOYSA-N Synonym: p-ethylphenol,phenol, 4-ethyl,1-ethyl-4-hydroxybenzene,phenol, p-ethyl,1-hydroxy-4-ethylbenzene,para-ethylphenol,4-hydroxyphenylethane,4-ethyl-phenol,4-hydroxyethylbenzene,paraethylphenol PubChem CID: 31242 ChEBI: CHEBI:49584 IUPAC Name: 4-ethylphenol SMILES: CCC1=CC=C(C=C1)O
| PubChem CID | 31242 |
|---|---|
| CAS | 123-07-9 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:49584 |
| MDL Number | MFCD00002393 |
| SMILES | CCC1=CC=C(C=C1)O |
| Synonym | p-ethylphenol,phenol, 4-ethyl,1-ethyl-4-hydroxybenzene,phenol, p-ethyl,1-hydroxy-4-ethylbenzene,para-ethylphenol,4-hydroxyphenylethane,4-ethyl-phenol,4-hydroxyethylbenzene,paraethylphenol |
| IUPAC Name | 4-ethylphenol |
| InChI Key | HXDOZKJGKXYMEW-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-Bromobenzamide 98.0+%, TCI America™
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CAS: 698-67-9 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00007991 InChI Key: ZRWNRAJCPNLYAK-UHFFFAOYSA-N Synonym: p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide PubChem CID: 69683 IUPAC Name: 4-bromobenzamide SMILES: C1=CC(=CC=C1C(=O)N)Br
| PubChem CID | 69683 |
|---|---|
| CAS | 698-67-9 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00007991 |
| SMILES | C1=CC(=CC=C1C(=O)N)Br |
| Synonym | p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide |
| IUPAC Name | 4-bromobenzamide |
| InChI Key | ZRWNRAJCPNLYAK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
2-Chloro-4-fluorotoluene 98.0+%, TCI America™
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CAS: 452-73-3 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000572 InChI Key: CSARJIQZOSVYHA-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorotoluene,benzene, 2-chloro-4-fluoro-1-methyl,4-fluoro-2-chlorotoluene,2-chlor-4-fluor-1-methylbenzol,pubchem1605,2-chloro-4fluorotoluene,acmc-1adyb,4-fluor-2-chlor-toluol,ksc235q0r,csarjiqzosvyha-uhfffaoysa PubChem CID: 96747 IUPAC Name: 2-chloro-4-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)Cl
| PubChem CID | 96747 |
|---|---|
| CAS | 452-73-3 |
| Molecular Weight (g/mol) | 144.573 |
| MDL Number | MFCD00000572 |
| SMILES | CC1=C(C=C(C=C1)F)Cl |
| Synonym | 2-chloro-4-fluorotoluene,benzene, 2-chloro-4-fluoro-1-methyl,4-fluoro-2-chlorotoluene,2-chlor-4-fluor-1-methylbenzol,pubchem1605,2-chloro-4fluorotoluene,acmc-1adyb,4-fluor-2-chlor-toluol,ksc235q0r,csarjiqzosvyha-uhfffaoysa |
| IUPAC Name | 2-chloro-4-fluoro-1-methylbenzene |
| InChI Key | CSARJIQZOSVYHA-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |
Calcium Folinate Hydrate 98.0+%, TCI America™
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CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L Synonym: calcium folinate PubChem CID: 131675590 IUPAC Name: calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
| PubChem CID | 131675590 |
|---|---|
| CAS | 1492-18-8 |
| Molecular Weight (g/mol) | 511.51 |
| MDL Number | MFCD00006704 |
| SMILES | [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1 |
| Synonym | calcium folinate |
| IUPAC Name | calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate |
| InChI Key | KVUAALJSMIVURS-AEQORCIRNA-L |
| Molecular Formula | C20H21CaN7O7 |
2-(Trifluoromethyl)benzamide 98.0+%, TCI America™
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CAS: 360-64-5 Molecular Formula: C8H6F3NO Molecular Weight (g/mol): 189.14 MDL Number: MFCD00014798 InChI Key: QBAYIBZITZBSFO-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzamide,o-trifluoromethylbenzamide,o-trifluoromethyl benzamide,unii-5u8y7e6aio,2-trifluoromehtyl benzamide,benzamide, 2-trifluoromethyl,o-trifluoromethyl-benzamide,5u8y7e6aio,synquest 4848-3-12 PubChem CID: 67759 IUPAC Name: 2-(trifluoromethyl)benzamide SMILES: NC(=O)C1=CC=CC=C1C(F)(F)F
| PubChem CID | 67759 |
|---|---|
| CAS | 360-64-5 |
| Molecular Weight (g/mol) | 189.14 |
| MDL Number | MFCD00014798 |
| SMILES | NC(=O)C1=CC=CC=C1C(F)(F)F |
| Synonym | 2-trifluoromethyl benzamide,o-trifluoromethylbenzamide,o-trifluoromethyl benzamide,unii-5u8y7e6aio,2-trifluoromehtyl benzamide,benzamide, 2-trifluoromethyl,o-trifluoromethyl-benzamide,5u8y7e6aio,synquest 4848-3-12 |
| IUPAC Name | 2-(trifluoromethyl)benzamide |
| InChI Key | QBAYIBZITZBSFO-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO |
2,4,6-Tribromoaniline 98.0+%, TCI America™
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CAS: 147-82-0 Molecular Formula: C6H4Br3N Molecular Weight (g/mol): 329.82 MDL Number: MFCD00007634 InChI Key: GVPODVKBTHCGFU-UHFFFAOYSA-N Synonym: benzenamine, 2,4,6-tribromo,s-tribromoaniline,2,4,6-tribromophenylamine,2,4,6-tribromobenzenamine,sym-tribromoaniline,aniline tribromide,tribromoaniline,usaf do-43,aniline, 2,4,6-tribromo,2,4,6-tribomoaniline PubChem CID: 8986 IUPAC Name: 2,4,6-tribromoaniline SMILES: NC1=C(Br)C=C(Br)C=C1Br
| PubChem CID | 8986 |
|---|---|
| CAS | 147-82-0 |
| Molecular Weight (g/mol) | 329.82 |
| MDL Number | MFCD00007634 |
| SMILES | NC1=C(Br)C=C(Br)C=C1Br |
| Synonym | benzenamine, 2,4,6-tribromo,s-tribromoaniline,2,4,6-tribromophenylamine,2,4,6-tribromobenzenamine,sym-tribromoaniline,aniline tribromide,tribromoaniline,usaf do-43,aniline, 2,4,6-tribromo,2,4,6-tribomoaniline |
| IUPAC Name | 2,4,6-tribromoaniline |
| InChI Key | GVPODVKBTHCGFU-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br3N |
1-Bromo-4-nitrobenzene 99.0+%, TCI America™
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CAS: 586-78-7 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD00007280 InChI Key: ZDFBKZUDCQQKAC-UHFFFAOYSA-N Synonym: 4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115 PubChem CID: 11466 IUPAC Name: 1-bromo-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Br)C=C1
| PubChem CID | 11466 |
|---|---|
| CAS | 586-78-7 |
| Molecular Weight (g/mol) | 202.01 |
| MDL Number | MFCD00007280 |
| SMILES | [O-][N+](=O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115 |
| IUPAC Name | 1-bromo-4-nitrobenzene |
| InChI Key | ZDFBKZUDCQQKAC-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
2,2-Bis(4-hydroxyphenyl)butane 98.0+%, TCI America™
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CAS: 77-40-7 Molecular Formula: C16H18O2 Molecular Weight (g/mol): 242.32 MDL Number: MFCD00020179 InChI Key: HTVITOHKHWFJKO-UHFFFAOYSA-N Synonym: bisphenol b,2,2-bis 4-hydroxyphenyl butane,4,4'-butane-2,2-diyl diphenol,phenol, 4,4'-1-methylpropylidene bis,p,p'-sec-butylidenediphenol,unii-1rc731tjja,4,4'-1-methylpropylidene bisphenol,1rc731tjja,4,4'-sec-butylidenediphenol,2,2-bis p-hydroxyphenyl butane PubChem CID: 66166 ChEBI: CHEBI:34581 IUPAC Name: 4-[2-(4-hydroxyphenyl)butan-2-yl]phenol SMILES: CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
| PubChem CID | 66166 |
|---|---|
| CAS | 77-40-7 |
| Molecular Weight (g/mol) | 242.32 |
| ChEBI | CHEBI:34581 |
| MDL Number | MFCD00020179 |
| SMILES | CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
| Synonym | bisphenol b,2,2-bis 4-hydroxyphenyl butane,4,4'-butane-2,2-diyl diphenol,phenol, 4,4'-1-methylpropylidene bis,p,p'-sec-butylidenediphenol,unii-1rc731tjja,4,4'-1-methylpropylidene bisphenol,1rc731tjja,4,4'-sec-butylidenediphenol,2,2-bis p-hydroxyphenyl butane |
| IUPAC Name | 4-[2-(4-hydroxyphenyl)butan-2-yl]phenol |
| InChI Key | HTVITOHKHWFJKO-UHFFFAOYSA-N |
| Molecular Formula | C16H18O2 |