2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylsulfanyl)benzoic acid CAS Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylthio)benzoic acid IUPAC Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylthio)benzoic acid Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OCC(O2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC2(C1)OCC(O2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C15H18O4S/c16-14(17)12-5-1-2-6-13(12)20-10-11-9-18-15(19-11)7-3-4-8-15/h1-2,5-6,11H,3-4,7-10H2,(H,16,17)