[4-(5-pentyl-1,3-dioxan-2-yl)phenyl] 2-chloranylheptanoate

Systemtic Name: [4-(5-pentyl-1,3-dioxan-2-yl)phenyl] 2-chloranylheptanoate Openeye Name: [4-(5-pentyl-1,3-dioxan-2-yl)phenyl] 2-chloroheptanoate CAS Name: 2-chloroheptanoic acid [4-(5-pentyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-pentyl-1,3-dioxan-2-yl)phenyl] 2-chloroheptanoate Traditional Name: 2-chloroenanthic acid [4-(5-amyl-1,3-dioxan-2-yl)phenyl] ester Formula: C22H33ClO4 MolecularWeight: 396.94802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C(CCCCC)Cl

Isomeric SMILES

CCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C(CCCCC)Cl

InChI

InChI=1S/C22H33ClO4/c1-3-5-7-9-17-15-25-22(26-16-17)18-11-13-19(14-12-18)27-21(24)20(23)10-8-6-4-2/h11-14,17,20,22H,3-10,15-16H2,1-2H3