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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MilliporeSigma™ DAF-FM DA, Calbiochem™,

CAS: 254109-22-3 Molecular Formula: C25H18F2N2O7 Molecular Weight (g/mol): 496.42 MDL Number: MFCD16872050 InChI Key: BEVHTVRRVVEMEF-UHFFFAOYSA-N Synonym: daf-fm da,3-amino-4-n-methylamino-2', 7'-difluorofluorescein diacetate,3-amino, 4-aminomethyl-2′,7′-difluorofluorescein diacetate,daf-fm da cell permeable,daf-fm da cellpermeable,diaminofluorescein-fm diacetate,daf-fm da hplc,4-amino-5-methylamino-2',7'-difluorescein diacetate,4-amino-5-methylamino-2',7'-difluorofluorescein diacetate,daf-fm da solution 5 mm in dmso , 1 mg in 0.40 ml dmso PubChem CID: 2762646 IUPAC Name: 6'-(acetyloxy)-4-amino-2',7'-difluoro-5-(methylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate SMILES: CNC1=C(N)C2=C(C=C1)C1(OC2=O)C2=CC(F)=C(OC(C)=O)C=C2OC2=CC(OC(C)=O)=C(F)C=C12

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PubChem CID	2762646
CAS	254109-22-3
Molecular Weight (g/mol)	496.42
MDL Number	MFCD16872050
SMILES	CNC1=C(N)C2=C(C=C1)C1(OC2=O)C2=CC(F)=C(OC(C)=O)C=C2OC2=CC(OC(C)=O)=C(F)C=C12
Synonym	daf-fm da,3-amino-4-n-methylamino-2', 7'-difluorofluorescein diacetate,3-amino, 4-aminomethyl-2′,7′-difluorofluorescein diacetate,daf-fm da cell permeable,daf-fm da cellpermeable,diaminofluorescein-fm diacetate,daf-fm da hplc,4-amino-5-methylamino-2',7'-difluorescein diacetate,4-amino-5-methylamino-2',7'-difluorofluorescein diacetate,daf-fm da solution 5 mm in dmso , 1 mg in 0.40 ml dmso
IUPAC Name	6'-(acetyloxy)-4-amino-2',7'-difluoro-5-(methylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate
InChI Key	BEVHTVRRVVEMEF-UHFFFAOYSA-N
Molecular Formula	C25H18F2N2O7

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1,3-Diphenylisobenzofuran, 97%

CAS: 5471-63-6 Molecular Formula: C₂₀H₁₄O Molecular Weight (g/mol): 270.32 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

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PubChem CID	21649
CAS	5471-63-6
Molecular Weight (g/mol)	270.32
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

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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

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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

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1,3-Diphenylisobenzofuran, 97%

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

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Specifications

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

Pyromellitic Dianhydride 98.0+%, TCI America™

CAS: 89-32-7 Molecular Formula: C10H2O6 Molecular Weight (g/mol): 218.12 MDL Number: MFCD00005005 InChI Key: ANSXAPJVJOKRDJ-UHFFFAOYSA-N Synonym: pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride PubChem CID: 6966 IUPAC Name: 5,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8-triene-4,6,10,12-tetrone SMILES: O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O

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PubChem CID	6966
CAS	89-32-7
Molecular Weight (g/mol)	218.12
MDL Number	MFCD00005005
SMILES	O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O
Synonym	pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride
IUPAC Name	5,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8-triene-4,6,10,12-tetrone
InChI Key	ANSXAPJVJOKRDJ-UHFFFAOYSA-N
Molecular Formula	C10H2O6

4-Methylcyclohexane-1,2-dicarboxylic Anhydride 98.0+%, TCI America™

CAS: 19438-60-9 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00005927 InChI Key: FKBMTBAXDISZGN-UHFFFAOYSA-N Synonym: hexahydro-4-methylphthalic anhydride,4-methylhexahydrophthalic anhydride,5-methylhexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride,1,3-isobenzofurandione, hexahydro-5-methyl,1,3-isobenzofurandione, hexahydromethyl,4-methylcyclohexane-1,2-dicarboxylic anhydride,5-methylhexahydrophthalic anhydride,5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride, mixture of isomers PubChem CID: 86876 IUPAC Name: 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: CC1CCC2C(C1)C(=O)OC2=O

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Specifications

PubChem CID	86876
CAS	19438-60-9
Molecular Weight (g/mol)	168.192
MDL Number	MFCD00005927
SMILES	CC1CCC2C(C1)C(=O)OC2=O
Synonym	hexahydro-4-methylphthalic anhydride,4-methylhexahydrophthalic anhydride,5-methylhexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride,1,3-isobenzofurandione, hexahydro-5-methyl,1,3-isobenzofurandione, hexahydromethyl,4-methylcyclohexane-1,2-dicarboxylic anhydride,5-methylhexahydrophthalic anhydride,5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride, mixture of isomers
IUPAC Name	5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI Key	FKBMTBAXDISZGN-UHFFFAOYSA-N
Molecular Formula	C9H12O3

Gallein 85.0+%, TCI America™

CAS: 2103-64-2 Molecular Formula: C20H12O7 Molecular Weight (g/mol): 364.309 MDL Number: MFCD00041839 InChI Key: PHLYOKFVXIVOJC-UHFFFAOYSA-N Synonym: gallein,alizarin violet,pyrogallolphthalein,c.i. mordant violet 25,4,5-dihydroxyfluorescein,mordant violet 25,3',4',5',6'-tetrahydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,alizarine violet,unii-8l0084u2qr,fluorescein, 4',5'-dihydroxy PubChem CID: 73685 IUPAC Name: 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O

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Specifications

PubChem CID	73685
CAS	2103-64-2
Molecular Weight (g/mol)	364.309
MDL Number	MFCD00041839
SMILES	C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O
Synonym	gallein,alizarin violet,pyrogallolphthalein,c.i. mordant violet 25,4,5-dihydroxyfluorescein,mordant violet 25,3',4',5',6'-tetrahydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,alizarine violet,unii-8l0084u2qr,fluorescein, 4',5'-dihydroxy
IUPAC Name	3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key	PHLYOKFVXIVOJC-UHFFFAOYSA-N
Molecular Formula	C20H12O7

Dibromopyromellitic Dianhydride 98.0+%, TCI America™

CAS: 24848-78-0 Molecular Formula: C10Br2O6 Molecular Weight (g/mol): 375.91 MDL Number: MFCD01100205 InChI Key: OYIHYCLAXDDYFC-UHFFFAOYSA-N Synonym: 3,6-Dibromobenzene-1,2,4,5-tetracarboxylic 1,2:4,5-Dianhydride PubChem CID: 630455 IUPAC Name: dibromo-5,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8-triene-4,6,10,12-tetrone SMILES: BrC1=C2C(=O)OC(=O)C2=C(Br)C2=C1C(=O)OC2=O

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Specifications

PubChem CID	630455
CAS	24848-78-0
Molecular Weight (g/mol)	375.91
MDL Number	MFCD01100205
SMILES	BrC1=C2C(=O)OC(=O)C2=C(Br)C2=C1C(=O)OC2=O
Synonym	3,6-Dibromobenzene-1,2,4,5-tetracarboxylic 1,2:4,5-Dianhydride
IUPAC Name	dibromo-5,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8-triene-4,6,10,12-tetrone
InChI Key	OYIHYCLAXDDYFC-UHFFFAOYSA-N
Molecular Formula	C10Br2O6

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

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Specifications

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

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

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Specifications

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

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

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Specifications

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

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

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

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Specifications

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

(+/-)-trans-1,2-Cyclohexanedicarboxylic Anhydride 98.0+%, TCI America™

CAS: 14166-21-3 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 InChI Key: MUTGBJKUEZFXGO-WDSKDSINSA-N PubChem CID: 12261141 IUPAC Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: C1CCC2C(C1)C(=O)OC2=O

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Specifications

PubChem CID	12261141
CAS	14166-21-3
Molecular Weight (g/mol)	154.165
SMILES	C1CCC2C(C1)C(=O)OC2=O
IUPAC Name	(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI Key	MUTGBJKUEZFXGO-WDSKDSINSA-N
Molecular Formula	C8H10O3

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

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Specifications

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

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

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Specifications

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

Isobenzofurans

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