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

Systemtic Name: [4-(4-hexoxyphenyl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(4-hexoxyphenyl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(4-hexoxyphenyl)phenyl] ester Formula: C24H31ClO3 MolecularWeight: 402.95414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C24H31ClO3/c1-4-6-7-8-17-27-21-13-9-19(10-14-21)20-11-15-22(16-12-20)28-24(26)23(25)18(3)5-2/h9-16,18,23H,4-8,17H2,1-3H3