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Reference substances

Reference substances

IUPAC name:
2,5-thiophenediylbis(5-tert-butyl-1,3-benzoxazole)

Inventory

EC number:
230-426-4
EC name:
2,5-thiophenediylbis(5-tert-butyl-1,3-benzoxazole)
CAS number:
7128-64-5
CAS number:
7128-64-5
Synonyms
Names:
Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)-
Identifier:
IUPAC name
2,2'-thiene-2,5-diylbis(5-tert-butyl-1,3-benzoxazole
Identifier:
IUPAC name
2,5-thiophenediylbis(5-tert-butyl-1,3-benzoxazole)
Identifier:
other: InChl
1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
Identifier:
other: SMILES notation
c1(nc2c(o1)ccc(c2)C(C)(C)C)c1sc(c2nc3c(o2)ccc(c3)C(C)(C)C)cc1
Identifier:
other: SMILES notation
n1c2cc(C(C)(C)C)ccc2oc1c3sc(c4oc5ccc(C(C)(C)C)cc5n4)cc3
2,2'-thiene-2,5-diylbis(5-tert-butyl-1,3-benzoxazole)

Molecular and structural information

Molecular formula:
C26H26N2O2S
Molecular weight:
430.562
SMILES notation:
CC(C)(C)c1ccc2oc(nc2c1)c3ccc(s3)c4oc5ccc(cc5n4)C(C)(C)C
InChl:
InChI=1/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
Structural formula:
Chemical structure

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