[4-(4-octoxyphenyl)phenyl] 2-chloranyl-3-methyl-pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClO3/c1-4-6-7-8-9-10-19-29-23-15-11-21(12-16-23)22-13-17-24(18-14-22)30-26(28)25(27)20(3)5-2/h11-18,20,25H,4-10,19H2,1-3H3