[4-(1-oxidanylnon-3-ynyl)phenyl] 5-oxidanylhept-6-ynoate

Systemtic Name: [4-(1-oxidanylnon-3-ynyl)phenyl] 5-oxidanylhept-6-ynoate Openeye Name: [4-(1-hydroxynon-3-ynyl)phenyl] 5-hydroxyhept-6-ynoate CAS Name: 5-hydroxy-6-heptynoic acid [4-(1-hydroxynon-3-ynyl)phenyl] ester IUPAC Name: [4-(1-hydroxynon-3-ynyl)phenyl] 5-hydroxyhept-6-ynoate Traditional Name: 5-hydroxyhept-6-ynoic acid [4-(1-hydroxynon-3-ynyl)phenyl] ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC(C1=CC=C(C=C1)OC(=O)CCCC(C#C)O)O

Isomeric SMILES

CCCCCC#CCC(C1=CC=C(C=C1)OC(=O)CCCC(C#C)O)O

InChI

InChI=1S/C22H28O4/c1-3-5-6-7-8-9-12-21(24)18-14-16-20(17-15-18)26-22(25)13-10-11-19(23)4-2/h2,14-17,19,21,23-24H,3,5-7,10-13H2,1H3