2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzoic acid

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzoic acid Openeye Name: 2-(indan-5-ylsulfanylmethyl)benzoic acid CAS Name: 2-[(2,3-dihydro-1H-inden-5-ylthio)methyl]benzoic acid IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzoic acid Traditional Name: 2-[(indan-5-ylthio)methyl]benzoic acid Formula: C17H16O2S MolecularWeight: 284.37274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H16O2S/c18-17(19)16-7-2-1-4-14(16)11-20-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10H,3,5-6,11H2,(H,18,19)