5-oxidanyl-2-[4-(1-oxidanylnon-3-ynyl)phenyl]hept-6-ynoic acid

Systemtic Name: 5-oxidanyl-2-[4-(1-oxidanylnon-3-ynyl)phenyl]hept-6-ynoic acid Openeye Name: 5-hydroxy-2-[4-(1-hydroxynon-3-ynyl)phenyl]hept-6-ynoic acid CAS Name: 5-hydroxy-2-[4-(1-hydroxynon-3-ynyl)phenyl]-6-heptynoic acid IUPAC Name: 5-hydroxy-2-[4-(1-hydroxynon-3-ynyl)phenyl]hept-6-ynoic acid Traditional Name: 5-hydroxy-2-[4-(1-hydroxynon-3-ynyl)phenyl]hept-6-ynoic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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