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4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid

4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid

Systemtic Name:4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid
Openeye Name:4-(1-methylheptoxy)-2-[4-(4-octoxyphenyl)phenyl]benzoic acid
CAS Name:4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid
IUPAC Name:4-octan-2-yloxy-2-[4-(4-octoxyphenyl)phenyl]benzoic acid
Traditional Name:4-(1-methylheptoxy)-2-[4-(4-octoxyphenyl)phenyl]benzoic acid
Formula: C35H46O4
MolecularWeight: 530.73734
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)OC(C)CCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)OC(C)CCCCCC)C(=O)O


InChI

InChI=1S/C35H46O4/c1-4-6-8-10-11-13-25-38-31-21-19-29(20-22-31)28-15-17-30(18-16-28)34-26-32(23-24-33(34)35(36)37)39-27(3)14-12-9-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3,(H,36,37)


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