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Reference substances

Reference substances

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General information

Inventory

EC number:
216-245-3
EC name:
2,2'-(vinylenedi-p-phenylene)bisbenzoxazole
CAS number:
1533-45-5

No inventory information available

Reference substance information

Synonyms
Names:
Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis-
Identifier:
CAS number
1533-45-5
Identifier:
IUPAC name
2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole)
Identifier:
IUPAC name
2,2'-(vinylenedi-p-phenylene)bisbenzoxazole
Identifier:
IUPAC name
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
Identifier:
other: SMILES notation
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5
Identifier:
other: InChl
InChI=1/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H
Identifier:
other: InChl
InChI=1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9+
Identifier:
other: SMILES notation
n1c2ccccc2oc1c1ccc(\C=C\c2ccc(c3oc4ccccc4n3)cc2)cc1
Identifier:
other: SMILES notation
o1c(nc2ccccc12)c3ccc(C=Cc4ccc(cc4)c5oc6ccccc6n5)cc3
2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole)

CAS information

CAS number:
1533-45-5

Molecular and structural information

Molecular formula:
C28H18N2O2
Molecular weight:
414.462
SMILES notation:
n1c(oc2ccccc12)c1ccc(C=Cc2ccc(c3nc4ccccc4o3)cc2)cc1
InChl:
1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9+
Structural formula:
Chemical structure