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Isobenzofurans

Organic heterocyclic compounds that consist of a furan ring and a benzene ring fused together to form a bicycle; they are isomers of benzofuran.
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1 – 15 of 38 results
1

6-Aminofluorescein (isomer II) 95.0+%, TCI America™

CAS: 51649-83-3 Molecular Formula: C20H13NO5 Molecular Weight (g/mol): 347.326 MDL Number: MFCD00005051 InChI Key: YOAWSYSKQHLFPM-UHFFFAOYSA-N Synonym: 6-aminofluorescein,fluoresceinamine isomer ii,2-aminofluorescein,6-amino-3',6'-dihydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,6-amino-3',6'-dihydroxy-3h-spiro 2-benzofuran-1,9'-xanthen-3-one,5-amino-3',6'-dihydroxyspiro 2-benzofuran-3,9'-xanthene-1-one,6-amino-3',6'-dihydroxyspiro 2-benzofuran-1,9'-xanthene-3-one,6-amino-3',6'-dihydroxyspiro isobenzofuran-1 3h ,9'-9h xanthene-3-one,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 6-amino-3',6'-dihydroxy PubChem CID: 103924 IUPAC Name: 5-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC2=C(C=C1N)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

PubChem CID 103924
CAS 51649-83-3
Molecular Weight (g/mol) 347.326
MDL Number MFCD00005051
SMILES C1=CC2=C(C=C1N)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
Synonym 6-aminofluorescein,fluoresceinamine isomer ii,2-aminofluorescein,6-amino-3',6'-dihydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,6-amino-3',6'-dihydroxy-3h-spiro 2-benzofuran-1,9'-xanthen-3-one,5-amino-3',6'-dihydroxyspiro 2-benzofuran-3,9'-xanthene-1-one,6-amino-3',6'-dihydroxyspiro 2-benzofuran-1,9'-xanthene-3-one,6-amino-3',6'-dihydroxyspiro isobenzofuran-1 3h ,9'-9h xanthene-3-one,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 6-amino-3',6'-dihydroxy
IUPAC Name 5-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key YOAWSYSKQHLFPM-UHFFFAOYSA-N
Molecular Formula C20H13NO5
2

6-Nitrofluorescein (isomer II) 98.0+%, TCI America™

CAS: 27402-68-2 Molecular Formula: C20H11NO7 Molecular Weight (g/mol): 377.308 MDL Number: MFCD00059694 InChI Key: GYWGQAIDMYGOLU-UHFFFAOYSA-N PubChem CID: 117391 IUPAC Name: 3',6'-dihydroxy-5-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

PubChem CID 117391
CAS 27402-68-2
Molecular Weight (g/mol) 377.308
MDL Number MFCD00059694
SMILES C1=CC2=C(C=C1[N+](=O)[O-])C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
IUPAC Name 3',6'-dihydroxy-5-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key GYWGQAIDMYGOLU-UHFFFAOYSA-N
Molecular Formula C20H11NO7
3

Fluorescein Isothiocyanate (mixture of 5- and 6- isomers) 97.0+%, TCI America™

CAS: 27072-45-3 Molecular Formula: C21H11NO5S MDL Number: MFCD00005063 Synonym: Isothiocyanatofluorescein

CAS 27072-45-3
MDL Number MFCD00005063
Synonym Isothiocyanatofluorescein
Molecular Formula C21H11NO5S
4

Fluorescein 6-Isothiocyanate (isomer II) 97.0+%, TCI America™

CAS: 18861-78-4 Molecular Formula: C21H11NO5S Molecular Weight (g/mol): 389.381 MDL Number: MFCD00041838 InChI Key: GTQFZXYECNSNNC-UHFFFAOYSA-N Synonym: 6-Isothiocyanatofluorescein, Fluorescein Isothiocyanate, 6-FITC PubChem CID: 2762652 ChEBI: CHEBI:37928 IUPAC Name: 3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC2=C(C=C1N=C=S)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

PubChem CID 2762652
CAS 18861-78-4
Molecular Weight (g/mol) 389.381
ChEBI CHEBI:37928
MDL Number MFCD00041838
SMILES C1=CC2=C(C=C1N=C=S)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
Synonym 6-Isothiocyanatofluorescein, Fluorescein Isothiocyanate, 6-FITC
IUPAC Name 3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key GTQFZXYECNSNNC-UHFFFAOYSA-N
Molecular Formula C21H11NO5S
5

2'-(Dibenzylamino)-6'-(diethylamino)fluoran 98.0+%, TCI America™

CAS: 34372-72-0 Molecular Formula: C38H34N2O3 Molecular Weight (g/mol): 566.701 InChI Key: DXYZIGZCEVJFIX-UHFFFAOYSA-N PubChem CID: 118663 IUPAC Name: 2'-(dibenzylamino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(CC6=CC=CC=C6)CC7=CC=CC=C7

PubChem CID 118663
CAS 34372-72-0
Molecular Weight (g/mol) 566.701
SMILES CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(CC6=CC=CC=C6)CC7=CC=CC=C7
IUPAC Name 2'-(dibenzylamino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key DXYZIGZCEVJFIX-UHFFFAOYSA-N
Molecular Formula C38H34N2O3
6

6'-(Diethylamino)-1',3'-dimethylfluoran 98.0+%, TCI America™

CAS: 21934-68-9 Molecular Formula: C26H25NO3 Molecular Weight (g/mol): 399.49 MDL Number: MFCD08276349 InChI Key: XUFBVJQHCCCPNM-UHFFFAOYNA-N PubChem CID: 89556 IUPAC Name: 3'-(diethylamino)-6',8'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one SMILES: CCN(CC)C1=CC=C2C(OC3=CC(C)=CC(C)=C3C22OC(=O)C3=CC=CC=C23)=C1

PubChem CID 89556
CAS 21934-68-9
Molecular Weight (g/mol) 399.49
MDL Number MFCD08276349
SMILES CCN(CC)C1=CC=C2C(OC3=CC(C)=CC(C)=C3C22OC(=O)C3=CC=CC=C23)=C1
IUPAC Name 3'-(diethylamino)-6',8'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
InChI Key XUFBVJQHCCCPNM-UHFFFAOYNA-N
Molecular Formula C26H25NO3
7

1,3-Diphenylisobenzofuran 97.0+%, TCI America™

CAS: 5471-63-6 Molecular Formula: C20H14O Molecular Weight (g/mol): 270.331 MDL Number: MFCD00005931 InChI Key: ZKSVYBRJSMBDMV-UHFFFAOYSA-N Synonym: 1,3-diphenylisobenzofuran,diphenylisobenzofuran,isobenzofuran, 1,3-diphenyl,1,3 diphenylisobenzofuran,2,5-diphenyl-3,4-benzofuran,acmc-209lj9,1,3-diphenylbenzo c furan,1,3-diphenylisobenzo b furan,1,3-di phenyl-2-benzofuran,# PubChem CID: 21649 IUPAC Name: 1,3-diphenyl-2-benzofuran SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4

PubChem CID 21649
CAS 5471-63-6
Molecular Weight (g/mol) 270.331
MDL Number MFCD00005931
SMILES C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4
Synonym 1,3-diphenylisobenzofuran,diphenylisobenzofuran,isobenzofuran, 1,3-diphenyl,1,3 diphenylisobenzofuran,2,5-diphenyl-3,4-benzofuran,acmc-209lj9,1,3-diphenylbenzo c furan,1,3-diphenylisobenzo b furan,1,3-di phenyl-2-benzofuran,#
IUPAC Name 1,3-diphenyl-2-benzofuran
InChI Key ZKSVYBRJSMBDMV-UHFFFAOYSA-N
Molecular Formula C20H14O
8

Thermo Scientific Chemicals Fluorescein diacetate, 97%, pure

CAS: 596-09-8 Molecular Formula: C24H16O7 Molecular Weight (g/mol): 416.39 MDL Number: MFCD00005062 InChI Key: CHADEQDQBURGHL-UHFFFAOYSA-N Synonym: fluorescein diacetate,3,6-diacetoxyfluoran,diacetylfluorescein,di-o-acetylfluorescein,fluorescein, diacetate,3',6'-diacetylfluorescein,unii-yl39r93pre,yl39r93pre,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy,3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate PubChem CID: 65047 IUPAC Name: (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3

PubChem CID 65047
CAS 596-09-8
Molecular Weight (g/mol) 416.39
MDL Number MFCD00005062
SMILES CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3
Synonym fluorescein diacetate,3,6-diacetoxyfluoran,diacetylfluorescein,di-o-acetylfluorescein,fluorescein, diacetate,3',6'-diacetylfluorescein,unii-yl39r93pre,yl39r93pre,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy,3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate
IUPAC Name (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
InChI Key CHADEQDQBURGHL-UHFFFAOYSA-N
Molecular Formula C24H16O7
9

2',7'-Dichlorofluorescein

CAS: 76-54-0 Molecular Formula: C20H10Cl2O5 Molecular Weight (g/mol): 401.195 MDL Number: MFCD00005047 InChI Key: VFNKZQNIXUFLBC-UHFFFAOYSA-N Synonym: 2',7'-dichlorofluorescein,dichlorofluorescein,unii-56nqm5uzt1,2,7-dichlorofluorescein,56nqm5uzt1,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 2',7'-dichloro-3',6'-dihydroxy,2',7'-dichloro-3',6'-dihydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,2',7'-dichloro-3',6'-dihydroxyspiro 2-benzofuran-3,9'-xanthene-1-one,11,16-dichloro-12,15-dihydroxyspiro 3-hydroisobenzofuran-3,9'-xanthene-1-one PubChem CID: 64944 ChEBI: CHEBI:51596 IUPAC Name: 2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl

PubChem CID 64944
CAS 76-54-0
Molecular Weight (g/mol) 401.195
ChEBI CHEBI:51596
MDL Number MFCD00005047
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl
Synonym 2',7'-dichlorofluorescein,dichlorofluorescein,unii-56nqm5uzt1,2,7-dichlorofluorescein,56nqm5uzt1,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 2',7'-dichloro-3',6'-dihydroxy,2',7'-dichloro-3',6'-dihydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,2',7'-dichloro-3',6'-dihydroxyspiro 2-benzofuran-3,9'-xanthene-1-one,11,16-dichloro-12,15-dihydroxyspiro 3-hydroisobenzofuran-3,9'-xanthene-1-one
IUPAC Name 2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key VFNKZQNIXUFLBC-UHFFFAOYSA-N
Molecular Formula C20H10Cl2O5
10

Fluorescein Chloride 95.0+%, TCI America™

CAS: 630-88-6 Molecular Formula: C20H10Cl2O3 Molecular Weight (g/mol): 369.20 MDL Number: MFCD00037841 InChI Key: LNBKJWCRFAZVLK-UHFFFAOYSA-N PubChem CID: 99508 IUPAC Name: 3',6'-dichloro-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one SMILES: ClC1=CC=C2C(OC3=CC(Cl)=CC=C3C22OC(=O)C3=CC=CC=C23)=C1

PubChem CID 99508
CAS 630-88-6
Molecular Weight (g/mol) 369.20
MDL Number MFCD00037841
SMILES ClC1=CC=C2C(OC3=CC(Cl)=CC=C3C22OC(=O)C3=CC=CC=C23)=C1
IUPAC Name 3',6'-dichloro-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
InChI Key LNBKJWCRFAZVLK-UHFFFAOYSA-N
Molecular Formula C20H10Cl2O3
11

5-Aminofluorescein (isomer I) 95.0+%, TCI America™

CAS: 3326-34-9 Molecular Formula: C20H13NO5 Molecular Weight (g/mol): 347.33 MDL Number: MFCD00005052 InChI Key: GZAJOEGTZDUSKS-UHFFFAOYSA-N Synonym: 5-aminofluorescein,fluoresceinamine,4-aminofluorescein,fluoresceinamine isomer i,fluoresceinamine, isomer i,1-aminofluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 5-amino-3',6'-dihydroxy,5 6-aminofluorescein mixture of isomers,5-amino-3',6'-dihydroxyspiro 2-benzofuran-1,9'-xanthene-3-one,5-amino-3',6'-dihydroxy-3h-spiro 2-benzofuran-1,9'-xanthene-3-one PubChem CID: 76845 IUPAC Name: 5-amino-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one SMILES: NC1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C12

PubChem CID 76845
CAS 3326-34-9
Molecular Weight (g/mol) 347.33
MDL Number MFCD00005052
SMILES NC1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C12
Synonym 5-aminofluorescein,fluoresceinamine,4-aminofluorescein,fluoresceinamine isomer i,fluoresceinamine, isomer i,1-aminofluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 5-amino-3',6'-dihydroxy,5 6-aminofluorescein mixture of isomers,5-amino-3',6'-dihydroxyspiro 2-benzofuran-1,9'-xanthene-3-one,5-amino-3',6'-dihydroxy-3h-spiro 2-benzofuran-1,9'-xanthene-3-one
IUPAC Name 5-amino-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
InChI Key GZAJOEGTZDUSKS-UHFFFAOYSA-N
Molecular Formula C20H13NO5
12

3,4,5,6-Tetrachlorofluorescein, TCI America™

CAS: 6262-21-1 Molecular Formula: C20H8Cl4O5 Molecular Weight (g/mol): 470.08 MDL Number: MFCD00010030 InChI Key: QCPFFGGFHNZBEP-UHFFFAOYSA-N Synonym: 4,5,6,7-tetrachlorofluorescein,tetrachlorofluorescein,unii-o73wzt10by,o73wzt10by,4,5,6,7-tetrachloro-3',6'-dihydroxy-3h-spiro 2-benzofuran-1,9'-xanthen-3-one,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy,4,5,6,7-tetrachloro-3',6'-dihydroxyspiro isobenzofuran-1 3h ,9'-9h xanthene-3-one,fluorescein, tetrachloro,4,6,7-tetrachloro-fluorescein PubChem CID: 80424 IUPAC Name: 4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one SMILES: OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C(Cl)C(Cl)=C(Cl)C(Cl)=C23)=C1

PubChem CID 80424
CAS 6262-21-1
Molecular Weight (g/mol) 470.08
MDL Number MFCD00010030
SMILES OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C(Cl)C(Cl)=C(Cl)C(Cl)=C23)=C1
Synonym 4,5,6,7-tetrachlorofluorescein,tetrachlorofluorescein,unii-o73wzt10by,o73wzt10by,4,5,6,7-tetrachloro-3',6'-dihydroxy-3h-spiro 2-benzofuran-1,9'-xanthen-3-one,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy,4,5,6,7-tetrachloro-3',6'-dihydroxyspiro isobenzofuran-1 3h ,9'-9h xanthene-3-one,fluorescein, tetrachloro,4,6,7-tetrachloro-fluorescein
IUPAC Name 4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
InChI Key QCPFFGGFHNZBEP-UHFFFAOYSA-N
Molecular Formula C20H8Cl4O5
13

2',4',5',7'-Tetrabromo-3,4,5,6-tetrachlorofluorescein 85.0+%, TCI America™

CAS: 13473-26-2 Molecular Formula: C20H4Br4Cl4O5 Molecular Weight (g/mol): 785.663 MDL Number: MFCD00067282 InChI Key: ZYIBVBKZZZDFOY-UHFFFAOYSA-N PubChem CID: 83511 IUPAC Name: 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=C2C(=C(C(=C1Br)O)Br)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)Br)O)Br

PubChem CID 83511
CAS 13473-26-2
Molecular Weight (g/mol) 785.663
MDL Number MFCD00067282
SMILES C1=C2C(=C(C(=C1Br)O)Br)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)Br)O)Br
IUPAC Name 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key ZYIBVBKZZZDFOY-UHFFFAOYSA-N
Molecular Formula C20H4Br4Cl4O5
14

3,4,5,6-Tetrahydrophthalic anhydride, 98%

CAS: 2426-02-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00005917 InChI Key: HMMBJOWWRLZEMI-UHFFFAOYSA-N Synonym: 3,4,5,6-tetrahydrophthalic anhydride,4,5,6,7-tetrahydroisobenzofuran-1,3-dione,1-cyclohexene-1,2-dicarboxylic anhydride,1,3-isobenzofurandione, 4,5,6,7-tetrahydro,unii-01d3m89a2w,cyclohexene-1,2-dicarboxylic anhydride,3,4,5,6-tetrahydrophthalic acid anhydride,1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione,1, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-1,3-isobenzofurandione PubChem CID: 12475 SMILES: O=C1OC(=O)C2=C1CCCC2

PubChem CID 12475
CAS 2426-02-0
Molecular Weight (g/mol) 152.15
MDL Number MFCD00005917
SMILES O=C1OC(=O)C2=C1CCCC2
Synonym 3,4,5,6-tetrahydrophthalic anhydride,4,5,6,7-tetrahydroisobenzofuran-1,3-dione,1-cyclohexene-1,2-dicarboxylic anhydride,1,3-isobenzofurandione, 4,5,6,7-tetrahydro,unii-01d3m89a2w,cyclohexene-1,2-dicarboxylic anhydride,3,4,5,6-tetrahydrophthalic acid anhydride,1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione,1, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-1,3-isobenzofurandione
InChI Key HMMBJOWWRLZEMI-UHFFFAOYSA-N
Molecular Formula C8H8O3
15

3-Methyl-4-cyclohexene-1,2-dicarboxylic Anhydride 95.0+%, TCI America™

CAS: 5333-84-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00014585 InChI Key: XPEKVUUBSDFMDR-UHFFFAOYNA-N Synonym: 3-Methyl-DELTA4-tetrahydrophthalic Anhydride PubChem CID: 95332 IUPAC Name: 4-methyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: CC1C=CCC2C1C(=O)OC2=O

PubChem CID 95332
CAS 5333-84-6
Molecular Weight (g/mol) 166.18
MDL Number MFCD00014585
SMILES CC1C=CCC2C1C(=O)OC2=O
Synonym 3-Methyl-DELTA4-tetrahydrophthalic Anhydride
IUPAC Name 4-methyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI Key XPEKVUUBSDFMDR-UHFFFAOYNA-N
Molecular Formula C9H10O3