dimethyl 4-[[3-(8-methyl-8-oxidanyl-nonan-2-yl)phenoxy]methyl]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[[3-(8-methyl-8-oxidanyl-nonan-2-yl)phenoxy]methyl]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[[3-(7-hydroxy-1,7-dimethyl-octyl)phenoxy]methyl]benzene-1,2-dicarboxylate CAS Name: 4-[[3-(8-hydroxy-8-methylnonan-2-yl)phenoxy]methyl]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[[3-(8-hydroxy-8-methylnonan-2-yl)phenoxy]methyl]benzene-1,2-dicarboxylate Traditional Name: 4-[[3-(7-hydroxy-1,7-dimethyl-octyl)phenoxy]methyl]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC(C)(C)O)C1=CC(=CC=C1)OCC2=CC(=C(C=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(CCCCCC(C)(C)O)C1=CC(=CC=C1)OCC2=CC(=C(C=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H36O6/c1-19(10-7-6-8-15-27(2,3)30)21-11-9-12-22(17-21)33-18-20-13-14-23(25(28)31-4)24(16-20)26(29)32-5/h9,11-14,16-17,19,30H,6-8,10,15,18H2,1-5H3