7-oxidanyl-2-(1-phenylsulfanylcyclopentyl)hept-5-ynoic acid

Systemtic Name: 7-oxidanyl-2-(1-phenylsulfanylcyclopentyl)hept-5-ynoic acid Openeye Name: 7-hydroxy-2-(1-phenylsulfanylcyclopentyl)hept-5-ynoic acid CAS Name: 7-hydroxy-2-[1-(phenylthio)cyclopentyl]-5-heptynoic acid IUPAC Name: 7-hydroxy-2-(1-phenylsulfanylcyclopentyl)hept-5-ynoic acid Traditional Name: 7-hydroxy-2-[1-(phenylthio)cyclopentyl]hept-5-ynoic acid Formula: C18H22O3S MolecularWeight: 318.43048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(CCC#CCO)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

C1CCC(C1)(C(CCC#CCO)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C18H22O3S/c19-14-8-2-5-11-16(17(20)21)18(12-6-7-13-18)22-15-9-3-1-4-10-15/h1,3-4,9-10,16,19H,5-7,11-14H2,(H,20,21)