[4-[3-(5-chloranylhexoxy)-2-hexoxy-2-methyl-propanoyl]oxynaphthalen-1-yl] octanoate

Systemtic Name: [4-[3-(5-chloranylhexoxy)-2-hexoxy-2-methyl-propanoyl]oxynaphthalen-1-yl] octanoate Openeye Name: [4-[3-(5-chlorohexoxy)-2-hexoxy-2-methyl-propanoyl]oxy-1-naphthyl] octanoate CAS Name: octanoic acid [4-[3-(5-chlorohexoxy)-2-hexoxy-2-methyl-1-oxopropoxy]-1-naphthalenyl] ester IUPAC Name: [4-[3-(5-chlorohexoxy)-2-hexoxy-2-methylpropanoyl]oxynaphthalen-1-yl] octanoate Traditional Name: caprylic acid [4-[3-(5-chlorohexoxy)-2-hexoxy-2-methyl-propanoyl]oxy-1-naphthyl] ester Formula: C34H51ClO6 MolecularWeight: 591.21814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)OC(=O)C(C)(COCCCCC(C)Cl)OCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)OC(=O)C(C)(COCCCCC(C)Cl)OCCCCCC

InChI

InChI=1S/C34H51ClO6/c1-5-7-9-11-12-21-32(36)40-30-22-23-31(29-20-14-13-19-28(29)30)41-33(37)34(4,39-25-16-10-8-6-2)26-38-24-17-15-18-27(3)35/h13-14,19-20,22-23,27H,5-12,15-18,21,24-26H2,1-4H3