(3-octoxy-4-phenyl-phenyl) 2-chloranyl-3-methyl-pentanoate

Systemtic Name: (3-octoxy-4-phenyl-phenyl) 2-chloranyl-3-methyl-pentanoate Openeye Name: (3-octoxy-4-phenyl-phenyl) 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid (3-octoxy-4-phenylphenyl) ester IUPAC Name: (3-octoxy-4-phenylphenyl) 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid (3-octoxy-4-phenyl-phenyl) ester Formula: C26H35ClO3 MolecularWeight: 431.0073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)OC(=O)C(C(C)CC)Cl)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)OC(=O)C(C(C)CC)Cl)C2=CC=CC=C2

InChI

InChI=1S/C26H35ClO3/c1-4-6-7-8-9-13-18-29-24-19-22(30-26(28)25(27)20(3)5-2)16-17-23(24)21-14-11-10-12-15-21/h10-12,14-17,19-20,25H,4-9,13,18H2,1-3H3