3-[[4-(3-dibenzofuran-4-ylphenyl)carbonylphenyl]methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[[4-(3-dibenzofuran-4-ylphenyl)carbonylphenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-(3-dibenzofuran-4-ylbenzoyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-[[3-(4-dibenzofuranyl)phenyl]-oxomethyl]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-(3-dibenzofuran-4-ylbenzoyl)phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-(3-dibenzofuran-4-ylbenzoyl)benzyl]thio]-2-methyl-propionic acid Formula: C30H24O4S MolecularWeight: 480.57416

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C30H24O4S/c1-19(30(32)33)17-35-18-20-12-14-21(15-13-20)28(31)23-7-4-6-22(16-23)24-9-5-10-26-25-8-2-3-11-27(25)34-29(24)26/h2-16,19H,17-18H2,1H3,(H,32,33)