4-[3-(1-iodanyl-2-adamantyl)-4-oxidanyl-phenyl]carbonylsulfanylbenzoic acid

Systemtic Name: 4-[3-(1-iodanyl-2-adamantyl)-4-oxidanyl-phenyl]carbonylsulfanylbenzoic acid Openeye Name: 4-[4-hydroxy-3-(1-iodo-2-adamantyl)benzoyl]sulfanylbenzoic acid CAS Name: 4-[[[4-hydroxy-3-(1-iodo-2-adamantyl)phenyl]-oxomethyl]thio]benzoic acid IUPAC Name: 4-[4-hydroxy-3-(1-iodo-2-adamantyl)benzoyl]sulfanylbenzoic acid Traditional Name: 4-[[4-hydroxy-3-(1-iodo-2-adamantyl)benzoyl]thio]benzoic acid Formula: C24H23IO4S MolecularWeight: 534.40649

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3C4=C(C=CC(=C4)C(=O)SC5=CC=C(C=C5)C(=O)O)O)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3C4=C(C=CC(=C4)C(=O)SC5=CC=C(C=C5)C(=O)O)O)I

InChI

InChI=1S/C24H23IO4S/c25-24-11-13-7-14(12-24)9-17(8-13)21(24)19-10-16(3-6-20(19)26)23(29)30-18-4-1-15(2-5-18)22(27)28/h1-6,10,13-14,17,21,26H,7-9,11-12H2,(H,27,28)