4-[4-[4,5-dimethyl-2-(phenylmethyl)furan-3-yl]carbonyl-2-methyl-6-phenyl-phenoxy]sulfonyl-3-oxidanyl-benzoic acid

Systemtic Name: 4-[4-[4,5-dimethyl-2-(phenylmethyl)furan-3-yl]carbonyl-2-methyl-6-phenyl-phenoxy]sulfonyl-3-oxidanyl-benzoic acid Openeye Name: 4-[4-(2-benzyl-4,5-dimethyl-furan-3-carbonyl)-2-methyl-6-phenyl-phenoxy]sulfonyl-3-hydroxy-benzoic acid CAS Name: 4-[4-[[4,5-dimethyl-2-(phenylmethyl)-3-furanyl]-oxomethyl]-2-methyl-6-phenylphenoxy]sulfonyl-3-hydroxybenzoic acid IUPAC Name: 4-[4-(2-benzyl-4,5-dimethylfuran-3-carbonyl)-2-methyl-6-phenylphenoxy]sulfonyl-3-hydroxybenzoic acid Traditional Name: 4-[4-(2-benzyl-4,5-dimethyl-3-furoyl)-2-methyl-6-phenyl-phenoxy]sulfonyl-3-hydroxy-benzoic acid Formula: C34H28O8S MolecularWeight: 596.64632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)C2=C(OC(=C2C)C)CC3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)C5=C(C=C(C=C5)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)C2=C(OC(=C2C)C)CC3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)C5=C(C=C(C=C5)C(=O)O)O

InChI

InChI=1S/C34H28O8S/c1-20-16-26(32(36)31-21(2)22(3)41-29(31)17-23-10-6-4-7-11-23)18-27(24-12-8-5-9-13-24)33(20)42-43(39,40)30-15-14-25(34(37)38)19-28(30)35/h4-16,18-19,35H,17H2,1-3H3,(H,37,38)