2-[[3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanylmethyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-1-hydroxy-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-[[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]methyl]-2-hydroxy-2-keto-ethyl]carbamoyl]benzoic acid Formula: C36H27NO6S MolecularWeight: 601.66768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)NC(=O)C6=CC=CC=C6C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)NC(=O)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C36H27NO6S/c38-34(29-7-1-2-8-30(29)35(39)40)37-31(36(41)42)21-44-20-22-12-14-23(15-13-22)24-16-18-25(19-17-24)26-9-5-10-28-27-6-3-4-11-32(27)43-33(26)28/h1-19,31H,20-21H2,(H,37,38)(H,39,40)(H,41,42)