Monoterpenoids

A diverse, modified class of terpenoids comprising two isoprene units and containing oxygen functionality or missing a methyl group; they have relevance to the pharmaceutical, cosmetic, agricultural, and food industries.

1 – 15 of 687 results

Thermo Scientific Chemicals alpha-Terpinene, 90%, tech.

CAS: 99-86-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001534 InChI Key: YHQGMYUVUMAZJR-UHFFFAOYSA-N Synonym: alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene PubChem CID: 7462 ChEBI: CHEBI:10334 IUPAC Name: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene SMILES: CC(C)C1=CC=C(C)CC1

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PubChem CID	7462
CAS	99-86-5
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:10334
MDL Number	MFCD00001534
SMILES	CC(C)C1=CC=C(C)CC1
Synonym	alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene
IUPAC Name	1-methyl-4-propan-2-ylcyclohexa-1,3-diene
InChI Key	YHQGMYUVUMAZJR-UHFFFAOYSA-N
Molecular Formula	C10H16

Thermo Scientific Chemicals 1,4-Diisopropylbenzene, 99%

CAS: 100-18-5 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.28 MDL Number: MFCD00008892 InChI Key: SPPWGCYEYAMHDT-UHFFFAOYSA-N Synonym: 1,4-diisopropylbenzene,p-diisopropylbenzene,benzene, p-diisopropyl,benzene, 1,4-bis 1-methylethyl,para-diisopropylbenzene,p-diisopropylbenzol,1,4-bis 1-methylethyl benzene,unii-5m62031nzp,1,4-di propan-2-yl benzene,dsstox_cid_6652 PubChem CID: 7486 SMILES: CC(C)C1=CC=C(C=C1)C(C)C

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PubChem CID	7486
CAS	100-18-5
Molecular Weight (g/mol)	162.28
MDL Number	MFCD00008892
SMILES	CC(C)C1=CC=C(C=C1)C(C)C
Synonym	1,4-diisopropylbenzene,p-diisopropylbenzene,benzene, p-diisopropyl,benzene, 1,4-bis 1-methylethyl,para-diisopropylbenzene,p-diisopropylbenzol,1,4-bis 1-methylethyl benzene,unii-5m62031nzp,1,4-di propan-2-yl benzene,dsstox_cid_6652
InChI Key	SPPWGCYEYAMHDT-UHFFFAOYSA-N
Molecular Formula	C12H18

Thermo Scientific Chemicals 4-Isopropylbenzaldehyde, 98%

CAS: 122-03-2 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00006953 InChI Key: WTWBUQJHJGUZCY-UHFFFAOYSA-N Synonym: 4-isopropylbenzaldehyde,cuminaldehyde,cuminic aldehyde,cumaldehyde,cuminal,p-cumic aldehyde,cumic aldehyde,cuminyl aldehyde,p-isopropylbenzaldehyde,benzaldehyde, 4-1-methylethyl PubChem CID: 326 ChEBI: CHEBI:28671 IUPAC Name: 4-propan-2-ylbenzaldehyde SMILES: CC(C)C1=CC=C(C=O)C=C1

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PubChem CID	326
CAS	122-03-2
Molecular Weight (g/mol)	148.21
ChEBI	CHEBI:28671
MDL Number	MFCD00006953
SMILES	CC(C)C1=CC=C(C=O)C=C1
Synonym	4-isopropylbenzaldehyde,cuminaldehyde,cuminic aldehyde,cumaldehyde,cuminal,p-cumic aldehyde,cumic aldehyde,cuminyl aldehyde,p-isopropylbenzaldehyde,benzaldehyde, 4-1-methylethyl
IUPAC Name	4-propan-2-ylbenzaldehyde
InChI Key	WTWBUQJHJGUZCY-UHFFFAOYSA-N
Molecular Formula	C10H12O

Thermo Scientific Chemicals Myrcene, 90%, tech., stabilized

CAS: 123-35-3 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.24 InChI Key: UAHWPYUMFXYFJY-UHFFFAOYSA-N Synonym: myrcene,beta-myrcene,7-methyl-3-methyleneocta-1,6-diene,7-methyl-3-methylene-1,6-octadiene,1,6-octadiene, 7-methyl-3-methylene,beta-geraniolene,.beta.-myrcene,2-methyl-6-methylene-2,7-octadiene,3-methylene-7-methyl-1,6-octadiene,myrcene natural PubChem CID: 31253 ChEBI: CHEBI:17221 IUPAC Name: 7-methyl-3-methylideneocta-1,6-diene SMILES: CC(=CCCC(=C)C=C)C

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PubChem CID	31253
CAS	123-35-3
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:17221
SMILES	CC(=CCCC(=C)C=C)C
Synonym	myrcene,beta-myrcene,7-methyl-3-methyleneocta-1,6-diene,7-methyl-3-methylene-1,6-octadiene,1,6-octadiene, 7-methyl-3-methylene,beta-geraniolene,.beta.-myrcene,2-methyl-6-methylene-2,7-octadiene,3-methylene-7-methyl-1,6-octadiene,myrcene natural
IUPAC Name	7-methyl-3-methylideneocta-1,6-diene
InChI Key	UAHWPYUMFXYFJY-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

Thermo Scientific Chemicals (+)-Dihydrocarvone, 98%, mixture of isomers

CAS: 5524-05-0 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00001636 InChI Key: AZOCECCLWFDTAP-RKDXNWHRSA-N Synonym: +-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r PubChem CID: 22227 ChEBI: CHEBI:154 IUPAC Name: (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one SMILES: CC1CCC(CC1=O)C(=C)C

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PubChem CID	22227
CAS	5524-05-0
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:154
MDL Number	MFCD00001636
SMILES	CC1CCC(CC1=O)C(=C)C
Synonym	+-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r
IUPAC Name	(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
InChI Key	AZOCECCLWFDTAP-RKDXNWHRSA-N
Molecular Formula	C₁₀H₁₆O

Thermo Scientific Chemicals Ethyl chrysanthemate, 95%, mixture of cis and trans

CAS: 97-41-6 Molecular Formula: C₁₂H₂₀O₂ Molecular Weight (g/mol): 196.29 MDL Number: MFCD00001304 InChI Key: VIMXTGUGWLAOFZ-UHFFFAOYSA-N Synonym: ethyl chrysanthemate,ethyl chrysanthemumate,chrysanthemic acid ethyl ester,cyclopropanecarboxylic acid, 2,2-dimethyl-3-2-methyl-1-propenyl-, ethyl ester,ethylchrysanthemate,ccris 2498,chrysanthemic acid, ethyl ester,ethyl 2,2-dimethyl-3-2-methyl-1-propenyl cyclopropanecarboxylate,ethyl 2,2-dimethyl-3-2-methylprop-1-en-1-yl cyclopropanecarboxylate,ethyl 2,2-dimethyl-3-2-methyl-1-propenyl cyclopropane-1-carboxylate PubChem CID: 7334 IUPAC Name: ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate SMILES: CCOC(=O)C1C(C1(C)C)C=C(C)C

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PubChem CID	7334
CAS	97-41-6
Molecular Weight (g/mol)	196.29
MDL Number	MFCD00001304
SMILES	CCOC(=O)C1C(C1(C)C)C=C(C)C
Synonym	ethyl chrysanthemate,ethyl chrysanthemumate,chrysanthemic acid ethyl ester,cyclopropanecarboxylic acid, 2,2-dimethyl-3-2-methyl-1-propenyl-, ethyl ester,ethylchrysanthemate,ccris 2498,chrysanthemic acid, ethyl ester,ethyl 2,2-dimethyl-3-2-methyl-1-propenyl cyclopropanecarboxylate,ethyl 2,2-dimethyl-3-2-methylprop-1-en-1-yl cyclopropanecarboxylate,ethyl 2,2-dimethyl-3-2-methyl-1-propenyl cyclopropane-1-carboxylate
IUPAC Name	ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
InChI Key	VIMXTGUGWLAOFZ-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₀O₂

Thermo Scientific Chemicals (-)-Myrtenal, 98%

CAS: 18486-69-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00074768 InChI Key: KMRMUZKLFIEVAO-UHFFFAOYNA-N Synonym: --myrtenal,1r-2-pinen-10-al,fema no. 3395,1r-6,6-dimethylbicyclo 3.1.1 hept-2-en-2-carboxaldehyde,2-norpinene-2-carboxaldehyde, 6,6-dimethyl-8ci,bicyclo 3.1.1 hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, 1s,1r---myrtenal,1r---myrtenal, analytical standard,--myrtenal sum of enantiomers, gc PubChem CID: 1201529 SMILES: CC1(C)C2CC1C(C=O)=CC2

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Specifications

PubChem CID	1201529
CAS	18486-69-6
Molecular Weight (g/mol)	150.22
MDL Number	MFCD00074768
SMILES	CC1(C)C2CC1C(C=O)=CC2
Synonym	--myrtenal,1r-2-pinen-10-al,fema no. 3395,1r-6,6-dimethylbicyclo 3.1.1 hept-2-en-2-carboxaldehyde,2-norpinene-2-carboxaldehyde, 6,6-dimethyl-8ci,bicyclo 3.1.1 hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, 1s,1r---myrtenal,1r---myrtenal, analytical standard,--myrtenal sum of enantiomers, gc
InChI Key	KMRMUZKLFIEVAO-UHFFFAOYNA-N
Molecular Formula	C10H14O

Thermo Scientific Chemicals (1R)-(+)-alpha-Pinene, 98%, 80% ee

CAS: 7785-70-8 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001346 InChI Key: GRWFGVWFFZKLTI-RKDXNWHRSA-N Synonym: +-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene PubChem CID: 82227 ChEBI: CHEBI:28261 SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C

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PubChem CID	82227
CAS	7785-70-8
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:28261
MDL Number	MFCD00001346
SMILES	CC1=CC[C@@H]2C[C@H]1C2(C)C
Synonym	+-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene
InChI Key	GRWFGVWFFZKLTI-RKDXNWHRSA-N
Molecular Formula	C10H16

Thermo Scientific Chemicals (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate, 98%

CAS: 1517-82-4 Molecular Formula: C₁₇H₂₆O₂S Molecular Weight (g/mol): 294.46 InChI Key: NQICGNSARVCSGJ-DSRNLFJRSA-N Synonym: 1r,2s,5r---menthyl s-p-toluenesulfinate,4-methylbenzenesulfinic acid 1r,5r-2-isopropyl-5-methylcyclohexyl ester PubChem CID: 101348873 IUPAC Name: [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate SMILES: CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C

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Specifications

PubChem CID	101348873
CAS	1517-82-4
Molecular Weight (g/mol)	294.46
SMILES	CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C
Synonym	1r,2s,5r---menthyl s-p-toluenesulfinate,4-methylbenzenesulfinic acid 1r,5r-2-isopropyl-5-methylcyclohexyl ester
IUPAC Name	[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate
InChI Key	NQICGNSARVCSGJ-DSRNLFJRSA-N
Molecular Formula	C₁₇H₂₆O₂S

Thermo Scientific Chemicals (R)-(-)-Linalool, 95% (sum of enantiomers)

CAS: 126-91-0 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00135469 InChI Key: CDOSHBSSFJOMGT-JTQLQIEISA-N Synonym: --linalool,3r-linalool,r---linalool,unii-3u21e3v8i2,1,6-octadien-3-ol, 3,7-dimethyl-, 3r,3r-3,7-dimethylocta-1,6-dien-3-ol,l-linalool,3r,7-dimethylocta-1,6-dien-3-ol,r-3,7-dimethylocta-1,6-dien-3-ol,linalool + PubChem CID: 443158 ChEBI: CHEBI:28 IUPAC Name: (3R)-3,7-dimethylocta-1,6-dien-3-ol SMILES: CC(=CCCC(C)(C=C)O)C

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PubChem CID	443158
CAS	126-91-0
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:28
MDL Number	MFCD00135469
SMILES	CC(=CCCC(C)(C=C)O)C
Synonym	--linalool,3r-linalool,r---linalool,unii-3u21e3v8i2,1,6-octadien-3-ol, 3,7-dimethyl-, 3r,3r-3,7-dimethylocta-1,6-dien-3-ol,l-linalool,3r,7-dimethylocta-1,6-dien-3-ol,r-3,7-dimethylocta-1,6-dien-3-ol,linalool +
IUPAC Name	(3R)-3,7-dimethylocta-1,6-dien-3-ol
InChI Key	CDOSHBSSFJOMGT-JTQLQIEISA-N
Molecular Formula	C₁₀H₁₈O

Thermo Scientific Chemicals (+)-(2R,8aS)-(Camphorylsulfonyl)oxaziridine, 98+%

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Thermo Scientific Chemicals D(+)-Fenchone, 97%

CAS: 4695-62-9 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00070689 InChI Key: LHXDLQBQYFFVNW-XCBNKYQSSA-N Synonym: +-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one PubChem CID: 1201521 ChEBI: CHEBI:165 IUPAC Name: (1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

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Specifications

PubChem CID	1201521
CAS	4695-62-9
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:165
MDL Number	MFCD00070689
SMILES	CC1(C2CCC(C2)(C1=O)C)C
Synonym	+-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one
IUPAC Name	(1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	LHXDLQBQYFFVNW-XCBNKYQSSA-N
Molecular Formula	C₁₀H₁₆O

Thermo Scientific Chemicals Linalyl acetate, 95%, synthetic

CAS: 115-95-7 Molecular Formula: C₁₂H₂₀O₂ Molecular Weight (g/mol): 196.28 MDL Number: MFCD00008907 InChI Key: UWKAYLJWKGQEPM-UHFFFAOYSA-N Synonym: linalyl acetate,linalool acetate,bergamiol,bergamol,linalol acetate,lynalyl acetate,licareol acetate,bergamot mint oil,acetic acid linalool ester,3,7-dimethyl-1,6-octadien-3-ol acetate PubChem CID: 8294 ChEBI: CHEBI:78333 IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl acetate SMILES: CC(=CCCC(C)(C=C)OC(=O)C)C

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Specifications

PubChem CID	8294
CAS	115-95-7
Molecular Weight (g/mol)	196.28
ChEBI	CHEBI:78333
MDL Number	MFCD00008907
SMILES	CC(=CCCC(C)(C=C)OC(=O)C)C
Synonym	linalyl acetate,linalool acetate,bergamiol,bergamol,linalol acetate,lynalyl acetate,licareol acetate,bergamot mint oil,acetic acid linalool ester,3,7-dimethyl-1,6-octadien-3-ol acetate
IUPAC Name	3,7-dimethylocta-1,6-dien-3-yl acetate
InChI Key	UWKAYLJWKGQEPM-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₀O₂

Thermo Scientific Chemicals alpha-Pinene, 97%, stabilized with alpha-Tocopherol

CAS: 80-56-8 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001339 InChI Key: GRWFGVWFFZKLTI-UHFFFAOYSA-N Synonym: alpha-pinene,2-pinene,.alpha.-pinene,acintene a,pinene isomer,2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,pinene, alpha,pin-2 3-ene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl,+-a-pinene PubChem CID: 6654 ChEBI: CHEBI:36740 IUPAC Name: 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene SMILES: CC1=CCC2CC1C2(C)C

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Specifications

PubChem CID	6654
CAS	80-56-8
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:36740
MDL Number	MFCD00001339
SMILES	CC1=CCC2CC1C2(C)C
Synonym	alpha-pinene,2-pinene,.alpha.-pinene,acintene a,pinene isomer,2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,pinene, alpha,pin-2 3-ene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl,+-a-pinene
IUPAC Name	4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key	GRWFGVWFFZKLTI-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

Thermo Scientific Chemicals L(-)-Camphorsulfonic acid, 98%

CAS: 35963-20-3 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00150753,MFCD00064158 InChI Key: MIOPJNTWMNEORI-MHPPCMCBSA-N Synonym: l--camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,1r---camphor-10-sulfonic acid,unii-y6075i4fxe,camphorsulfonic acid,-,l---camphor-10-sulfonic acid,s-camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 hept-1-yl methanesulfonic acid,--camphor-10-sulfonic acid PubChem CID: 5771688 ChEBI: CHEBI:55401 SMILES: CC1(C)C2CC[C@]1(CS(O)(=O)=O)C(=O)C2

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Specifications

PubChem CID	5771688
CAS	35963-20-3
Molecular Weight (g/mol)	232.29
ChEBI	CHEBI:55401
MDL Number	MFCD00150753,MFCD00064158
SMILES	CC1(C)C2CC[C@]1(CS(O)(=O)=O)C(=O)C2
Synonym	l--camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,1r---camphor-10-sulfonic acid,unii-y6075i4fxe,camphorsulfonic acid,-,l---camphor-10-sulfonic acid,s-camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 hept-1-yl methanesulfonic acid,--camphor-10-sulfonic acid
InChI Key	MIOPJNTWMNEORI-MHPPCMCBSA-N
Molecular Formula	C10H16O4S

Monoterpenoids

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