Organooxygen compounds
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Disodium Anthraquinone-2,6-disulfonate 98.0+%, TCI America™
CAS: 853-68-9 Molecular Formula: C14H6Na2O8S2 Molecular Weight (g/mol): 412.29 MDL Number: MFCD00001230 InChI Key: PKOVWEHDVFYKHL-UHFFFAOYSA-L Synonym: anthraquinone-2,6-disulfonic acid disodium salt,disodium anthraquinone-2,6-disulfonate,9,10-anthraquinone-2,6-disulfonic acid disodium salt,2,6-anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, disodium salt,disodium 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate,sodium anthraquinone-2,6-disulfonate,2,6-anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt 1:2,disodium 9,10-dioxoanthracene-2,6-disulfonate,9,10-dihydro-9,10-dioxo-2,6-anthracenedisulfonic acid disodium salt,disodium 9,10-anthraquinone-2,6-disulfonate PubChem CID: 70070 IUPAC Name: disodium 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC(=CC=C3C(=O)C2=C1)S([O-])(=O)=O
| PubChem CID | 70070 |
|---|---|
| CAS | 853-68-9 |
| Molecular Weight (g/mol) | 412.29 |
| MDL Number | MFCD00001230 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC(=CC=C3C(=O)C2=C1)S([O-])(=O)=O |
| Synonym | anthraquinone-2,6-disulfonic acid disodium salt,disodium anthraquinone-2,6-disulfonate,9,10-anthraquinone-2,6-disulfonic acid disodium salt,2,6-anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, disodium salt,disodium 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate,sodium anthraquinone-2,6-disulfonate,2,6-anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt 1:2,disodium 9,10-dioxoanthracene-2,6-disulfonate,9,10-dihydro-9,10-dioxo-2,6-anthracenedisulfonic acid disodium salt,disodium 9,10-anthraquinone-2,6-disulfonate |
| IUPAC Name | disodium 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate |
| InChI Key | PKOVWEHDVFYKHL-UHFFFAOYSA-L |
| Molecular Formula | C14H6Na2O8S2 |
2-Amino-3-hydroxyanthraquinone 98.0+%, TCI America™
CAS: 117-77-1 Molecular Formula: C14H9NO3 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00059499 InChI Key: CNWWMJSRHGXXAX-UHFFFAOYSA-N PubChem CID: 67029 IUPAC Name: 2-amino-3-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)O)N
| PubChem CID | 67029 |
|---|---|
| CAS | 117-77-1 |
| Molecular Weight (g/mol) | 239.23 |
| MDL Number | MFCD00059499 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)O)N |
| IUPAC Name | 2-amino-3-hydroxyanthracene-9,10-dione |
| InChI Key | CNWWMJSRHGXXAX-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO3 |
1-(3-Hydroxypropyl)pyrrole 98.0+%, TCI America™
CAS: 50966-69-3 Molecular Formula: C7H11NO Molecular Weight (g/mol): 125.171 MDL Number: MFCD00191453 InChI Key: ORCXGLCMROHGOM-UHFFFAOYSA-N PubChem CID: 12794991 IUPAC Name: 3-pyrrol-1-ylpropan-1-ol SMILES: C1=CN(C=C1)CCCO
| PubChem CID | 12794991 |
|---|---|
| CAS | 50966-69-3 |
| Molecular Weight (g/mol) | 125.171 |
| MDL Number | MFCD00191453 |
| SMILES | C1=CN(C=C1)CCCO |
| IUPAC Name | 3-pyrrol-1-ylpropan-1-ol |
| InChI Key | ORCXGLCMROHGOM-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO |
1-Bromo-2-methoxymethylnaphthalene 98.0+%, TCI America™
CAS: 64689-70-9 Molecular Formula: C12H11BrO Molecular Weight (g/mol): 251.123 MDL Number: MFCD00059518 InChI Key: ORYVAZPUJFACFR-UHFFFAOYSA-N PubChem CID: 12385765 IUPAC Name: 1-bromo-2-(methoxymethyl)naphthalene SMILES: COCC1=C(C2=CC=CC=C2C=C1)Br
| PubChem CID | 12385765 |
|---|---|
| CAS | 64689-70-9 |
| Molecular Weight (g/mol) | 251.123 |
| MDL Number | MFCD00059518 |
| SMILES | COCC1=C(C2=CC=CC=C2C=C1)Br |
| IUPAC Name | 1-bromo-2-(methoxymethyl)naphthalene |
| InChI Key | ORYVAZPUJFACFR-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO |
1,4-Bis(2-hydroxyethoxy)-2-butyne 50.0+%, TCI America™
CAS: 1606-85-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00002883 InChI Key: IXAWTPMDMPUGLV-UHFFFAOYSA-N Synonym: 1,4-bis 2-hydroxyethoxy-2-butyne,2-4-2-hydroxyethoxy but-2-ynoxy ethanol,unii-8tt85143cr,2,2'-but-2-yne-1,4-diylbis oxy diethanol,ethanol, 2,2'-2-butyne-1,4-diylbis oxy bis,2,2'-but-2-ynylenedioxydiethanol,ethanol, 2,2'-2-butynylenedioxy di,2,2'-2-butyne-1,4-diyldioxy diethanol,2,2'-2-butyne-1,4-diylbis oxy bisethanol,3,8-dioxa-5-decyne-1,10-diol PubChem CID: 62411 IUPAC Name: 2-[4-(2-hydroxyethoxy)but-2-ynoxy]ethanol SMILES: C(COCC#CCOCCO)O
| PubChem CID | 62411 |
|---|---|
| CAS | 1606-85-5 |
| Molecular Weight (g/mol) | 174.196 |
| MDL Number | MFCD00002883 |
| SMILES | C(COCC#CCOCCO)O |
| Synonym | 1,4-bis 2-hydroxyethoxy-2-butyne,2-4-2-hydroxyethoxy but-2-ynoxy ethanol,unii-8tt85143cr,2,2'-but-2-yne-1,4-diylbis oxy diethanol,ethanol, 2,2'-2-butyne-1,4-diylbis oxy bis,2,2'-but-2-ynylenedioxydiethanol,ethanol, 2,2'-2-butynylenedioxy di,2,2'-2-butyne-1,4-diyldioxy diethanol,2,2'-2-butyne-1,4-diylbis oxy bisethanol,3,8-dioxa-5-decyne-1,10-diol |
| IUPAC Name | 2-[4-(2-hydroxyethoxy)but-2-ynoxy]ethanol |
| InChI Key | IXAWTPMDMPUGLV-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4 |
3-Pentyl Acetoacetate 97.0+%, TCI America™
CAS: 13562-81-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00059415 InChI Key: PFTIWTQFHWICDR-UHFFFAOYSA-N Synonym: Acetoacetic Acid 3-Pentyl Ester, 3-Amyl Acetoacetate, Acetoacetic Acid 3-Amyl Ester PubChem CID: 14677137 IUPAC Name: pentan-3-yl 3-oxobutanoate SMILES: CCC(CC)OC(=O)CC(=O)C
| PubChem CID | 14677137 |
|---|---|
| CAS | 13562-81-7 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00059415 |
| SMILES | CCC(CC)OC(=O)CC(=O)C |
| Synonym | Acetoacetic Acid 3-Pentyl Ester, 3-Amyl Acetoacetate, Acetoacetic Acid 3-Amyl Ester |
| IUPAC Name | pentan-3-yl 3-oxobutanoate |
| InChI Key | PFTIWTQFHWICDR-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Nonadecanophenone 97.0+%, TCI America™
CAS: 103044-68-4 Molecular Formula: C25H42O Molecular Weight (g/mol): 358.61 MDL Number: MFCD00094242 InChI Key: WTWRNRBSHQDWMY-UHFFFAOYSA-N Synonym: Octadecyl Phenyl Ketone PubChem CID: 4657534 IUPAC Name: 1-phenylnonadecan-1-one SMILES: CCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 4657534 |
|---|---|
| CAS | 103044-68-4 |
| Molecular Weight (g/mol) | 358.61 |
| MDL Number | MFCD00094242 |
| SMILES | CCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Octadecyl Phenyl Ketone |
| IUPAC Name | 1-phenylnonadecan-1-one |
| InChI Key | WTWRNRBSHQDWMY-UHFFFAOYSA-N |
| Molecular Formula | C25H42O |
(+/-)-Hydrobenzoin 98.0+%, TCI America™
CAS: 655-48-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00136059 InChI Key: IHPDTPWNFBQHEB-UHFFFAOYSA-N Synonym: (+/-)-1,2-Diphenyl-1,2-ethanediol PubChem CID: 95447 ChEBI: CHEBI:50013 IUPAC Name: 1,2-diphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O
| PubChem CID | 95447 |
|---|---|
| CAS | 655-48-1 |
| Molecular Weight (g/mol) | 214.264 |
| ChEBI | CHEBI:50013 |
| MDL Number | MFCD00136059 |
| SMILES | C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O |
| Synonym | (+/-)-1,2-Diphenyl-1,2-ethanediol |
| IUPAC Name | 1,2-diphenylethane-1,2-diol |
| InChI Key | IHPDTPWNFBQHEB-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |
3-(2,4-Difluorobenzoyl)propionic Acid 98.0+%, TCI America™
CAS: 110931-77-6 Molecular Formula: C10H8F2O3 Molecular Weight (g/mol): 214.17 MDL Number: MFCD00143016 InChI Key: OKYUHFSCTFNDFB-UHFFFAOYSA-N Synonym: 4-(2,4-Difluorophenyl)-4-oxobutyric Acid PubChem CID: 2774081 IUPAC Name: 4-(2,4-difluorophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=C(F)C=C(F)C=C1
| PubChem CID | 2774081 |
|---|---|
| CAS | 110931-77-6 |
| Molecular Weight (g/mol) | 214.17 |
| MDL Number | MFCD00143016 |
| SMILES | OC(=O)CCC(=O)C1=C(F)C=C(F)C=C1 |
| Synonym | 4-(2,4-Difluorophenyl)-4-oxobutyric Acid |
| IUPAC Name | 4-(2,4-difluorophenyl)-4-oxobutanoic acid |
| InChI Key | OKYUHFSCTFNDFB-UHFFFAOYSA-N |
| Molecular Formula | C10H8F2O3 |
3-Benzyloxybenzaldehyde 98.0+%, TCI America™
CAS: 1700-37-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00003367 InChI Key: JAICGBJIBWDEIZ-UHFFFAOYSA-N Synonym: 3-benzyloxybenzaldehyde,3-benzyloxy benzaldehyde,benzaldehyde, 3-phenylmethoxy,m-benzyloxybenzaldehyde,benzaldehyde, m-benzyloxy,3-phenylmethoxy benzaldehyde,3-benzyloxy-benzaldehyde,unii-k1s6ob2gnn,k1s6ob2gnn PubChem CID: 74342 IUPAC Name: 3-phenylmethoxybenzaldehyde SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O
| PubChem CID | 74342 |
|---|---|
| CAS | 1700-37-4 |
| Molecular Weight (g/mol) | 212.248 |
| MDL Number | MFCD00003367 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O |
| Synonym | 3-benzyloxybenzaldehyde,3-benzyloxy benzaldehyde,benzaldehyde, 3-phenylmethoxy,m-benzyloxybenzaldehyde,benzaldehyde, m-benzyloxy,3-phenylmethoxy benzaldehyde,3-benzyloxy-benzaldehyde,unii-k1s6ob2gnn,k1s6ob2gnn |
| IUPAC Name | 3-phenylmethoxybenzaldehyde |
| InChI Key | JAICGBJIBWDEIZ-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
meso-Hydrobenzoin 98.0+%, TCI America™
CAS: 579-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00064253 InChI Key: IHPDTPWNFBQHEB-UHFFFAOYNA-N Synonym: meso-hydrobenzoin,meso-1,2-diphenyl-1,2-ethanediol,unii-co9a49a84i,meso-stilbene glycol,1r,2s-1,2-diphenylethane-1,2-diol,meso-1,2-diphenylethylene glycol,hydrobenzoin, meso,unii-q61g3433lb component PubChem CID: 853018 ChEBI: CHEBI:50015 IUPAC Name: 1,2-diphenylethane-1,2-diol SMILES: OC(C(O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 853018 |
|---|---|
| CAS | 579-43-1 |
| Molecular Weight (g/mol) | 214.26 |
| ChEBI | CHEBI:50015 |
| MDL Number | MFCD00064253 |
| SMILES | OC(C(O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | meso-hydrobenzoin,meso-1,2-diphenyl-1,2-ethanediol,unii-co9a49a84i,meso-stilbene glycol,1r,2s-1,2-diphenylethane-1,2-diol,meso-1,2-diphenylethylene glycol,hydrobenzoin, meso,unii-q61g3433lb component |
| IUPAC Name | 1,2-diphenylethane-1,2-diol |
| InChI Key | IHPDTPWNFBQHEB-UHFFFAOYNA-N |
| Molecular Formula | C14H14O2 |
3-Bromothiophene-2-carboxaldehyde 95.0+%, TCI America™
CAS: 930-96-1 Molecular Formula: C5H3BrOS Molecular Weight (g/mol): 191.04 MDL Number: MFCD00126680 InChI Key: BCZHCWCOQDRYGS-UHFFFAOYSA-N Synonym: 3-bromothiophene-2-carboxaldehyde,3-bromo-2-formylthiophene,3-bromo-2-thiophenecarbaldehyde,3-bromo-2-thiophene carboxaldehyde,3-bromo-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 3-bromo,bromothiophenecarbaldehyde,3-bromothiophene-2-aldehyde,pubchem5327,acmc-209rjz PubChem CID: 2797079 IUPAC Name: 3-bromothiophene-2-carbaldehyde SMILES: BrC1=C(SC=C1)C=O
| PubChem CID | 2797079 |
|---|---|
| CAS | 930-96-1 |
| Molecular Weight (g/mol) | 191.04 |
| MDL Number | MFCD00126680 |
| SMILES | BrC1=C(SC=C1)C=O |
| Synonym | 3-bromothiophene-2-carboxaldehyde,3-bromo-2-formylthiophene,3-bromo-2-thiophenecarbaldehyde,3-bromo-2-thiophene carboxaldehyde,3-bromo-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 3-bromo,bromothiophenecarbaldehyde,3-bromothiophene-2-aldehyde,pubchem5327,acmc-209rjz |
| IUPAC Name | 3-bromothiophene-2-carbaldehyde |
| InChI Key | BCZHCWCOQDRYGS-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrOS |
cis-4-Heptenal 95.0+%, TCI America™
CAS: 6728-31-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 MDL Number: MFCD00014682 InChI Key: VVGOCOMZRGWHPI-ARJAWSKDSA-N Synonym: cis-4-heptenal,cis-4-hepten-1-al,z-hept-4-enal,z-4-heptenal,4-heptenal, z,z-4-hepten-1-al,hept-cis-4-enal,unii-5bj99wwp64,4-z-heptenal,hept-4 z-enal PubChem CID: 5362814 IUPAC Name: (Z)-hept-4-enal SMILES: CCC=CCCC=O
| PubChem CID | 5362814 |
|---|---|
| CAS | 6728-31-0 |
| Molecular Weight (g/mol) | 112.172 |
| MDL Number | MFCD00014682 |
| SMILES | CCC=CCCC=O |
| Synonym | cis-4-heptenal,cis-4-hepten-1-al,z-hept-4-enal,z-4-heptenal,4-heptenal, z,z-4-hepten-1-al,hept-cis-4-enal,unii-5bj99wwp64,4-z-heptenal,hept-4 z-enal |
| IUPAC Name | (Z)-hept-4-enal |
| InChI Key | VVGOCOMZRGWHPI-ARJAWSKDSA-N |
| Molecular Formula | C7H12O |
3-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 606488-94-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 InChI Key: JBZDHFKPEDWWJC-UHFFFAOYSA-N PubChem CID: 5255726 IUPAC Name: 3-hydroxycyclohexane-1-carboxylic acid SMILES: C1CC(CC(C1)O)C(=O)O
| PubChem CID | 5255726 |
|---|---|
| CAS | 606488-94-2 |
| Molecular Weight (g/mol) | 144.17 |
| SMILES | C1CC(CC(C1)O)C(=O)O |
| IUPAC Name | 3-hydroxycyclohexane-1-carboxylic acid |
| InChI Key | JBZDHFKPEDWWJC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
3-Acetylindole 98.0+%, TCI America™
CAS: 703-80-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00005626 InChI Key: VUIMBZIZZFSQEE-UHFFFAOYSA-N Synonym: 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one PubChem CID: 12802 IUPAC Name: 1-(1H-indol-3-yl)ethanone SMILES: CC(=O)C1=CNC2=CC=CC=C21
| PubChem CID | 12802 |
|---|---|
| CAS | 703-80-0 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00005626 |
| SMILES | CC(=O)C1=CNC2=CC=CC=C21 |
| Synonym | 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one |
| IUPAC Name | 1-(1H-indol-3-yl)ethanone |
| InChI Key | VUIMBZIZZFSQEE-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |