dimethyl 4-[[3-(6-ethyl-6-oxidanyl-octan-2-yl)phenoxy]methyl]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[[3-(6-ethyl-6-oxidanyl-octan-2-yl)phenoxy]methyl]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[[3-(5-ethyl-5-hydroxy-1-methyl-heptyl)phenoxy]methyl]benzene-1,2-dicarboxylate CAS Name: 4-[[3-(6-ethyl-6-hydroxyoctan-2-yl)phenoxy]methyl]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[[3-(6-ethyl-6-hydroxyoctan-2-yl)phenoxy]methyl]benzene-1,2-dicarboxylate Traditional Name: 4-[[3-(5-ethyl-5-hydroxy-1-methyl-heptyl)phenoxy]methyl]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCC(C)C1=CC(=CC=C1)OCC2=CC(=C(C=C2)C(=O)OC)C(=O)OC)O

Isomeric SMILES

CCC(CC)(CCCC(C)C1=CC(=CC=C1)OCC2=CC(=C(C=C2)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C27H36O6/c1-6-27(30,7-2)15-9-10-19(3)21-11-8-12-22(17-21)33-18-20-13-14-23(25(28)31-4)24(16-20)26(29)32-5/h8,11-14,16-17,19,30H,6-7,9-10,15,18H2,1-5H3