trimethyl (Z)-1-(hydroxymethyl)-7-phenyl-hept-1-en-6-yne-1,4,4-tricarboxylate

Systemtic Name: trimethyl (Z)-1-(hydroxymethyl)-7-phenyl-hept-1-en-6-yne-1,4,4-tricarboxylate Openeye Name: trimethyl (Z)-1-(hydroxymethyl)-7-phenyl-hept-1-en-6-yne-1,4,4-tricarboxylate CAS Name: (Z)-1-(hydroxymethyl)-7-phenylhept-1-en-6-yne-1,4,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (Z)-1-(hydroxymethyl)-7-phenylhept-1-en-6-yne-1,4,4-tricarboxylate Traditional Name: (Z)-1-methylol-7-phenyl-hept-1-en-6-yne-1,4,4-tricarboxylic acid trimethyl ester Formula: C20H22O7 MolecularWeight: 374.38448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CCC(CC#CC1=CC=CC=C1)(C(=O)OC)C(=O)OC)CO

Isomeric SMILES

COC(=O)/C(=C\CC(CC#CC1=CC=CC=C1)(C(=O)OC)C(=O)OC)/CO

InChI

InChI=1S/C20H22O7/c1-25-17(22)16(14-21)11-13-20(18(23)26-2,19(24)27-3)12-7-10-15-8-5-4-6-9-15/h4-6,8-9,11,21H,12-14H2,1-3H3/b16-11-