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4-[4-[(1S,4R)-4-pentylcycloheptyl]phenyl]benzoate

4-[4-[(1S,4R)-4-pentylcycloheptyl]phenyl]benzoate

Systemtic Name:4-[4-[(1S,4R)-4-pentylcycloheptyl]phenyl]benzoate
Openeye Name:4-[4-[(1S,4R)-4-pentylcycloheptyl]phenyl]benzoate
CAS Name:4-[4-[(1S,4R)-4-pentylcycloheptyl]phenyl]benzoate
IUPAC Name:4-[4-[(1S,4R)-4-pentylcycloheptyl]phenyl]benzoate
Traditional Name:4-[4-[(1S,4R)-4-amylcycloheptyl]phenyl]benzoate
Formula: C25H31O2-
MolecularWeight: 363.51244
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-]


Isomeric SMILES

CCCCC[C@@H]1CCC[C@@H](CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-]


InChI

InChI=1S/C25H32O2/c1-2-3-4-6-19-7-5-8-20(10-9-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(26)27/h11-20H,2-10H2,1H3,(H,26,27)/p-1/t19-,20+/m1/s1


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