4-ethylhexan-2-yl 4-phenylbenzoate

Systemtic Name: 4-ethylhexan-2-yl 4-phenylbenzoate Openeye Name: (3-ethyl-1-methyl-pentyl) 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid 4-ethylhexan-2-yl ester IUPAC Name: 4-ethylhexan-2-yl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid (3-ethyl-1-methyl-pentyl) ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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