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

Systemtic Name: 4-[4-[2-[(4-bromophenyl)methyl]-4,5-dimethyl-furan-3-yl]carbonyl-2-cyclopentyl-phenyl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-[2-[(4-bromophenyl)methyl]-4,5-dimethyl-furan-3-carbonyl]-2-cyclopentyl-phenyl]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-[[2-[(4-bromophenyl)methyl]-4,5-dimethyl-3-furanyl]-oxomethyl]-2-cyclopentylphenyl]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-[2-[(4-bromophenyl)methyl]-4,5-dimethylfuran-3-carbonyl]-2-cyclopentylphenyl]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-[2-(4-bromobenzyl)-4,5-dimethyl-3-furoyl]-2-cyclopentyl-phenyl]sulfonyl-2-hydroxy-benzoic acid Formula: C32H29BrO7S MolecularWeight: 637.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)O)C4CCCC4)CC5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)O)C4CCCC4)CC5=CC=C(C=C5)Br)C

InChI

InChI=1S/C32H29BrO7S/c1-18-19(2)40-28(15-20-7-10-23(33)11-8-20)30(18)31(35)22-9-14-29(26(16-22)21-5-3-4-6-21)41(38,39)24-12-13-25(32(36)37)27(34)17-24/h7-14,16-17,21,34H,3-6,15H2,1-2H3,(H,36,37)