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

Systemtic Name: 3-[[6-[2-(4-methoxyphenyl)ethylsulfanyl]-3-oxidanylidene-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[6-[2-(4-methoxyphenyl)ethylsulfanyl]-3-oxo-indan-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[6-[2-(4-methoxyphenyl)ethylthio]-3-oxo-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[6-[2-(4-methoxyphenyl)ethylsulfanyl]-3-oxo-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[3-keto-6-[2-(4-methoxyphenyl)ethylthio]indan-5-yl]oxymethyl]benzoic acid Formula: C26H24O5S MolecularWeight: 448.53076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCSC2=C(C=C3C(=C2)CCC3=O)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCSC2=C(C=C3C(=C2)CCC3=O)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H24O5S/c1-30-21-8-5-17(6-9-21)11-12-32-25-14-19-7-10-23(27)22(19)15-24(25)31-16-18-3-2-4-20(13-18)26(28)29/h2-6,8-9,13-15H,7,10-12,16H2,1H3,(H,28,29)