2-[(4-methoxyphenyl)methylsulfanyl]-1,3-dihydroindene-2-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-1,3-dihydroindene-2-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]indane-2-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-1,3-dihydroindene-2-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-1,3-dihydroindene-2-carboxylic acid Traditional Name: 2-(p-anisylthio)indane-2-carboxylic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2(CC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2(CC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C18H18O3S/c1-21-16-8-6-13(7-9-16)12-22-18(17(19)20)10-14-4-2-3-5-15(14)11-18/h2-9H,10-12H2,1H3,(H,19,20)