dimethyl 4-[[3-[(E)-6-ethyl-6-oxidanyl-oct-2-en-4-yn-2-yl]phenoxy]methyl]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[[3-[(E)-6-ethyl-6-oxidanyl-oct-2-en-4-yn-2-yl]phenoxy]methyl]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[[3-[(E)-5-ethyl-5-hydroxy-1-methyl-hept-1-en-3-ynyl]phenoxy]methyl]benzene-1,2-dicarboxylate CAS Name: 4-[[3-[(E)-6-ethyl-6-hydroxyoct-2-en-4-yn-2-yl]phenoxy]methyl]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[[3-[(E)-6-ethyl-6-hydroxyoct-2-en-4-yn-2-yl]phenoxy]methyl]benzene-1,2-dicarboxylate Traditional Name: 4-[[3-[(E)-5-ethyl-5-hydroxy-1-methyl-hept-1-en-3-ynyl]phenoxy]methyl]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C27H30O6 MolecularWeight: 450.5235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)(C#C/C=C(\C)/C1=CC(=CC=C1)OCC2=CC(=C(C=C2)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C27H30O6/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/h8,10-14,16-17,30H,6-7,18H2,1-5H3/b19-10+