6-[4-(4-decoxyphenyl)phenyl]hexan-2-yl 3-chloranylpropanoate

Systemtic Name: 6-[4-(4-decoxyphenyl)phenyl]hexan-2-yl 3-chloranylpropanoate Openeye Name: [5-[4-(4-decoxyphenyl)phenyl]-1-methyl-pentyl] 3-chloropropanoate CAS Name: 3-chloropropanoic acid 6-[4-(4-decoxyphenyl)phenyl]hexan-2-yl ester IUPAC Name: 6-[4-(4-decoxyphenyl)phenyl]hexan-2-yl 3-chloropropanoate Traditional Name: 3-chloropropionic acid [5-[4-(4-decoxyphenyl)phenyl]-1-methyl-pentyl] ester Formula: C31H45ClO3 MolecularWeight: 501.1402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(C)OC(=O)CCCl

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(C)OC(=O)CCCl

InChI

InChI=1S/C31H45ClO3/c1-3-4-5-6-7-8-9-12-25-34-30-21-19-29(20-22-30)28-17-15-27(16-18-28)14-11-10-13-26(2)35-31(33)23-24-32/h15-22,26H,3-14,23-25H2,1-2H3