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(5S)-5-oxidanyl-7-[4-(1-oxidanylnon-3-ynyl)phenyl]hept-6-ynoic acid

(5S)-5-oxidanyl-7-[4-(1-oxidanylnon-3-ynyl)phenyl]hept-6-ynoic acid

Systemtic Name:(5S)-5-oxidanyl-7-[4-(1-oxidanylnon-3-ynyl)phenyl]hept-6-ynoic acid
Openeye Name:(5S)-5-hydroxy-7-[4-(1-hydroxynon-3-ynyl)phenyl]hept-6-ynoic acid
CAS Name:(5S)-5-hydroxy-7-[4-(1-hydroxynon-3-ynyl)phenyl]-6-heptynoic acid
IUPAC Name:(5S)-5-hydroxy-7-[4-(1-hydroxynon-3-ynyl)phenyl]hept-6-ynoic acid
Traditional Name:(5S)-5-hydroxy-7-[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#CC(CCCC(=O)O)O)O


Isomeric SMILES

CCCCCC#CCC(C1=CC=C(C=C1)C#C[C@H](CCCC(=O)O)O)O


InChI

InChI=1S/C22H28O4/c1-2-3-4-5-6-7-10-21(24)19-15-12-18(13-16-19)14-17-20(23)9-8-11-22(25)26/h12-13,15-16,20-21,23-24H,2-5,8-11H2,1H3,(H,25,26)/t20-,21?/m0/s1


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