3-[(3-oxidanylidene-6-propylsulfanyl-1,2-dihydroinden-5-yl)oxymethyl]benzoic acid

Systemtic Name: 3-[(3-oxidanylidene-6-propylsulfanyl-1,2-dihydroinden-5-yl)oxymethyl]benzoic acid Openeye Name: 3-[(3-oxo-6-propylsulfanyl-indan-5-yl)oxymethyl]benzoic acid CAS Name: 3-[[3-oxo-6-(propylthio)-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid IUPAC Name: 3-[(3-oxo-6-propylsulfanyl-1,2-dihydroinden-5-yl)oxymethyl]benzoic acid Traditional Name: 3-[[3-keto-6-(propylthio)indan-5-yl]oxymethyl]benzoic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)CCC2=O)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)CCC2=O)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H20O4S/c1-2-8-25-19-10-14-6-7-17(21)16(14)11-18(19)24-12-13-4-3-5-15(9-13)20(22)23/h3-5,9-11H,2,6-8,12H2,1H3,(H,22,23)