(E)-6-[3-(1-oxidanylnon-3-ynyl)phenyl]hex-5-enoic acid

Systemtic Name: (E)-6-[3-(1-oxidanylnon-3-ynyl)phenyl]hex-5-enoic acid Openeye Name: (E)-6-[3-(1-hydroxynon-3-ynyl)phenyl]hex-5-enoic acid CAS Name: (E)-6-[3-(1-hydroxynon-3-ynyl)phenyl]-5-hexenoic acid IUPAC Name: (E)-6-[3-(1-hydroxynon-3-ynyl)phenyl]hex-5-enoic acid Traditional Name: (E)-6-[3-(1-hydroxynon-3-ynyl)phenyl]hex-5-enoic acid Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-2-3-4-5-6-9-15-20(22)19-14-11-13-18(17-19)12-8-7-10-16-21(23)24/h8,11-14,17,20,22H,2-5,7,10,15-16H2,1H3,(H,23,24)/b12-8+