O4-(3-decoxy-4-phenyl-phenyl) O1-(2-methylbutyl) benzene-1,4-dicarboxylate

Systemtic Name: O4-(3-decoxy-4-phenyl-phenyl) O1-(2-methylbutyl) benzene-1,4-dicarboxylate Openeye Name: O4-(3-decoxy-4-phenyl-phenyl) O1-(2-methylbutyl) benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-(3-decoxy-4-phenylphenyl) ester O1-(2-methylbutyl) ester IUPAC Name: 4-O-(3-decoxy-4-phenylphenyl) 1-O-(2-methylbutyl) benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-(3-decoxy-4-phenyl-phenyl) ester O1-(2-methylbutyl) ester Formula: C35H44O5 MolecularWeight: 544.72086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)C(=O)OCC(C)CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)C(=O)OCC(C)CC)C3=CC=CC=C3

InChI

InChI=1S/C35H44O5/c1-4-6-7-8-9-10-11-15-24-38-33-25-31(22-23-32(33)28-16-13-12-14-17-28)40-35(37)30-20-18-29(19-21-30)34(36)39-26-27(3)5-2/h12-14,16-23,25,27H,4-11,15,24,26H2,1-3H3