bis(2-nonylphenyl) hexanedioate

Systemtic Name: bis(2-nonylphenyl) hexanedioate Openeye Name: bis(2-nonylphenyl) hexanedioate CAS Name: hexanedioic acid bis(2-nonylphenyl) ester IUPAC Name: bis(2-nonylphenyl) hexanedioate Traditional Name: adipic acid bis(2-nonylphenyl) ester Formula: C36H54O4 MolecularWeight: 550.81156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)CCCCC(=O)OC2=CC=CC=C2CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)CCCCC(=O)OC2=CC=CC=C2CCCCCCCCC

InChI

InChI=1S/C36H54O4/c1-3-5-7-9-11-13-15-23-31-25-17-19-27-33(31)39-35(37)29-21-22-30-36(38)40-34-28-20-18-26-32(34)24-16-14-12-10-8-6-4-2/h17-20,25-28H,3-16,21-24,29-30H2,1-2H3