4-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(indan-5-ylsulfanylmethyl)benzoic acid CAS Name: 4-[(2,3-dihydro-1H-inden-5-ylthio)methyl]benzoic acid IUPAC Name: 4-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16O2S/c18-17(19)14-6-4-12(5-7-14)11-20-16-9-8-13-2-1-3-15(13)10-16/h4-10H,1-3,11H2,(H,18,19)