2-[[4-[2-(diphenylmethyl)sulfanylethyl]-3,4-dihydro-2H-chromen-8-yl]oxy]ethanoic acid

Systemtic Name: 2-[[4-[2-(diphenylmethyl)sulfanylethyl]-3,4-dihydro-2H-chromen-8-yl]oxy]ethanoic acid Openeye Name: 2-[4-(2-benzhydrylsulfanylethyl)chroman-8-yl]oxyacetic acid CAS Name: 2-[[4-[2-[(diphenylmethyl)thio]ethyl]-3,4-dihydro-2H-1-benzopyran-8-yl]oxy]acetic acid IUPAC Name: 2-[[4-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-chromen-8-yl]oxy]acetic acid Traditional Name: 2-[4-[2-(benzhydrylthio)ethyl]chroman-8-yl]oxyacetic acid Formula: C26H26O4S MolecularWeight: 434.54724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1CCSC(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2OCC(=O)O

Isomeric SMILES

C1COC2=C(C1CCSC(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2OCC(=O)O

InChI

InChI=1S/C26H26O4S/c27-24(28)18-30-23-13-7-12-22-19(14-16-29-25(22)23)15-17-31-26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19,26H,14-18H2,(H,27,28)