ethyl 2,7-bis(oxidanyl)-2-phenethyl-hept-3-ynoate

Systemtic Name: ethyl 2,7-bis(oxidanyl)-2-phenethyl-hept-3-ynoate Openeye Name: ethyl 2,7-dihydroxy-2-phenethyl-hept-3-ynoate CAS Name: 2,7-dihydroxy-2-phenethyl-3-heptynoic acid ethyl ester IUPAC Name: ethyl 2,7-dihydroxy-2-phenethylhept-3-ynoate Traditional Name: 2,7-dihydroxy-2-phenethyl-hept-3-ynoic acid ethyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)(C#CCCCO)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)(C#CCCCO)O

InChI

InChI=1S/C17H22O4/c1-2-21-16(19)17(20,12-7-4-8-14-18)13-11-15-9-5-3-6-10-15/h3,5-6,9-10,18,20H,2,4,8,11,13-14H2,1H3