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octan-2-yl 4-phenylbenzoate

octan-2-yl 4-phenylbenzoate

Systemtic Name:octan-2-yl 4-phenylbenzoate
Openeye Name:1-methylheptyl 4-phenylbenzoate
CAS Name:4-phenylbenzoic acid octan-2-yl ester
IUPAC Name:octan-2-yl 4-phenylbenzoate
Traditional Name:4-phenylbenzoic acid 1-methylheptyl ester
Formula: C21H26O2
MolecularWeight: 310.42994
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2


Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2


InChI

InChI=1S/C21H26O2/c1-3-4-5-7-10-17(2)23-21(22)20-15-13-19(14-16-20)18-11-8-6-9-12-18/h6,8-9,11-17H,3-5,7,10H2,1-2H3


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