4-[4-ethanoyl-7-(1-oxidanylcyclohexyl)hept-6-ynyl]benzoic acid

Systemtic Name: 4-[4-ethanoyl-7-(1-oxidanylcyclohexyl)hept-6-ynyl]benzoic acid Openeye Name: 4-[4-acetyl-7-(1-hydroxycyclohexyl)hept-6-ynyl]benzoic acid CAS Name: 4-[4-acetyl-7-(1-hydroxycyclohexyl)hept-6-ynyl]benzoic acid IUPAC Name: 4-[4-acetyl-7-(1-hydroxycyclohexyl)hept-6-ynyl]benzoic acid Traditional Name: 4-[4-acetyl-7-(1-hydroxycyclohexyl)hept-6-ynyl]benzoic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC1=CC=C(C=C1)C(=O)O)CC#CC2(CCCCC2)O

Isomeric SMILES

CC(=O)C(CCCC1=CC=C(C=C1)C(=O)O)CC#CC2(CCCCC2)O

InChI

InChI=1S/C22H28O4/c1-17(23)19(9-6-16-22(26)14-3-2-4-15-22)8-5-7-18-10-12-20(13-11-18)21(24)25/h10-13,19,26H,2-5,7-9,14-15H2,1H3,(H,24,25)