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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC3=CC=CC(=C3)C(=O)O

InChI

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