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3-[2-(4-heptylcyclohexyl)ethyl]-4-phenyl-benzoic acid

3-[2-(4-heptylcyclohexyl)ethyl]-4-phenyl-benzoic acid

Systemtic Name:3-[2-(4-heptylcyclohexyl)ethyl]-4-phenyl-benzoic acid
Openeye Name:3-[2-(4-heptylcyclohexyl)ethyl]-4-phenyl-benzoic acid
CAS Name:3-[2-(4-heptylcyclohexyl)ethyl]-4-phenylbenzoic acid
IUPAC Name:3-[2-(4-heptylcyclohexyl)ethyl]-4-phenylbenzoic acid
Traditional Name:3-[2-(4-heptylcyclohexyl)ethyl]-4-phenyl-benzoic acid
Formula: C28H38O2
MolecularWeight: 406.60012
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C(=O)O)C3=CC=CC=C3


Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C(=O)O)C3=CC=CC=C3


InChI

InChI=1S/C28H38O2/c1-2-3-4-5-7-10-22-13-15-23(16-14-22)17-18-25-21-26(28(29)30)19-20-27(25)24-11-8-6-9-12-24/h6,8-9,11-12,19-23H,2-5,7,10,13-18H2,1H3,(H,29,30)


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