methyl 3,5-bis(oxidanyl)-7-phenyl-hept-6-ynoate

Systemtic Name: methyl 3,5-bis(oxidanyl)-7-phenyl-hept-6-ynoate Openeye Name: methyl 3,5-dihydroxy-7-phenyl-hept-6-ynoate CAS Name: 3,5-dihydroxy-7-phenyl-6-heptynoic acid methyl ester IUPAC Name: methyl 3,5-dihydroxy-7-phenylhept-6-ynoate Traditional Name: 3,5-dihydroxy-7-phenyl-hept-6-ynoic acid methyl ester Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(C#CC1=CC=CC=C1)O)O

Isomeric SMILES

COC(=O)CC(CC(C#CC1=CC=CC=C1)O)O

InChI

InChI=1S/C14H16O4/c1-18-14(17)10-13(16)9-12(15)8-7-11-5-3-2-4-6-11/h2-6,12-13,15-16H,9-10H2,1H3