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Reference substances

Reference substances

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General information

Inventory

EC number:
220-460-8
EC name:
2,4-bis(1-phenylethyl)phenol
CAS number:
2769-94-0

No inventory information available

Reference substance information

IUPAC name:
bis(1-phenylethyl)phenol
Synonyms
Names:
Phenol, 2,4-bis(1-phenylethyl)-
Identifier:
IUPAC name
2,4-bis(1-phenylethyl)phenol
Identifier:
other: SMILES notation
CC(C1=C(O)C=CC(C(C)C2=CC=CC=C2)=C1)C3=CC=CC=C3
Identifier:
other: SMILES notation
CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3
Identifier:
other: InChl
InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3
Identifier:
other: SMILES notation
Oc(c(cc(c1)C(c(cccc2)c2)C)C(c(cccc3)c3)C)c1

CAS information

CAS number:
2769-94-0

Molecular and structural information

Molecular formula:
C22H22O
Molecular weight:
302
SMILES notation:
CC(c1ccccc1)c2ccc(O)c(c2)C(C)c3ccccc3
InChl:
InChI=1/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3
Structural formula:
Chemical structure