2-oxidanyl-2-thiophen-3-yl-propanoic acid; phenylcyclooctane

Systemtic Name: 2-oxidanyl-2-thiophen-3-yl-propanoic acid; phenylcyclooctane Openeye Name: 2-hydroxy-2-(3-thienyl)propanoic acid; phenylcyclooctane CAS Name: 2-hydroxy-2-(3-thiophenyl)propanoic acid; phenylcyclooctane IUPAC Name: 2-hydroxy-2-thiophen-3-ylpropanoic acid; phenylcyclooctane Traditional Name: 2-hydroxy-2-(3-thienyl)propionic acid; phenylcyclooctane Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC=C1)(C(=O)O)O.C1CCCC(CCC1)C2=CC=CC=C2

Isomeric SMILES

CC(C1=CSC=C1)(C(=O)O)O.C1CCCC(CCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H20.C7H8O3S/c1-2-5-9-13(10-6-3-1)14-11-7-4-8-12-14;1-7(10,6(8)9)5-2-3-11-4-5/h4,7-8,11-13H,1-3,5-6,9-10H2;2-4,10H,1H3,(H,8,9)