2-[3,5-bis(bromanyl)-4-(3-cyclopentyl-4-oxidanyl-phenyl)sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-(3-cyclopentyl-4-oxidanyl-phenyl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-(3-cyclopentyl-4-hydroxy-phenyl)sulfonyl-phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-(3-cyclopentyl-4-hydroxyphenyl)sulfonylphenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-(3-cyclopentyl-4-hydroxyphenyl)sulfonylphenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-(3-cyclopentyl-4-hydroxy-phenyl)sulfonyl-phenyl]acetic acid Formula: C19H18Br2O5S MolecularWeight: 518.21622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C=CC(=C2)S(=O)(=O)C3=C(C=C(C=C3Br)CC(=O)O)Br)O

Isomeric SMILES

C1CCC(C1)C2=C(C=CC(=C2)S(=O)(=O)C3=C(C=C(C=C3Br)CC(=O)O)Br)O

InChI

InChI=1S/C19H18Br2O5S/c20-15-7-11(9-18(23)24)8-16(21)19(15)27(25,26)13-5-6-17(22)14(10-13)12-3-1-2-4-12/h5-8,10,12,22H,1-4,9H2,(H,23,24)