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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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