2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]sulfanylethanoic acid Openeye Name: 2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]sulfanylacetic acid CAS Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]thio]acetic acid IUPAC Name: 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]sulfanylacetic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]thio]acetic acid Formula: C17H16Br2O4S MolecularWeight: 476.17954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)SCC(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)SCC(=O)O)Br)O

InChI

InChI=1S/C17H16Br2O4S/c1-9(2)12-5-10(3-4-15(12)20)23-17-13(18)6-11(7-14(17)19)24-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)