3-[[6-[(4-methylphenyl)methylsulfanyl]-3-oxidanylidene-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[6-[(4-methylphenyl)methylsulfanyl]-3-oxidanylidene-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[3-oxo-6-(p-tolylmethylsulfanyl)indan-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[6-[(4-methylphenyl)methylthio]-3-oxo-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[6-[(4-methylphenyl)methylsulfanyl]-3-oxo-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[3-keto-6-[(4-methylbenzyl)thio]indan-5-yl]oxymethyl]benzoic acid Formula: C25H22O4S MolecularWeight: 418.50478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=C3C(=C2)CCC3=O)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=C3C(=C2)CCC3=O)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H22O4S/c1-16-5-7-17(8-6-16)15-30-24-12-19-9-10-22(26)21(19)13-23(24)29-14-18-3-2-4-20(11-18)25(27)28/h2-8,11-13H,9-10,14-15H2,1H3,(H,27,28)