1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 2-chloranyl-3-methyl-pentanoate

Systemtic Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 2-chloranyl-3-methyl-pentanoate Openeye Name: [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] ester Formula: C29H41ClO4 MolecularWeight: 489.08644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41ClO4/c1-5-7-8-9-10-11-20-32-26-16-12-24(13-17-26)25-14-18-27(19-15-25)33-21-23(4)34-29(31)28(30)22(3)6-2/h12-19,22-23,28H,5-11,20-21H2,1-4H3