5-[5-methyl-5-(4-oxidanyl-3-sulfo-phenyl)-2-propan-2-yl-cyclohexyl]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-[5-methyl-5-(4-oxidanyl-3-sulfo-phenyl)-2-propan-2-yl-cyclohexyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-5-[5-(4-hydroxy-3-sulfo-phenyl)-2-isopropyl-5-methyl-cyclohexyl]benzenesulfonic acid CAS Name: 2-hydroxy-5-[5-(4-hydroxy-3-sulfophenyl)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonic acid IUPAC Name: 2-hydroxy-5-[5-(4-hydroxy-3-sulfophenyl)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonic acid Traditional Name: 2-hydroxy-5-[5-(4-hydroxy-3-sulfo-phenyl)-2-isopropyl-5-methyl-cyclohexyl]besylic acid Formula: C22H28O8S2 MolecularWeight: 484.58292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1C2=CC(=C(C=C2)O)S(=O)(=O)O)(C)C3=CC(=C(C=C3)O)S(=O)(=O)O

Isomeric SMILES

CC(C)C1CCC(CC1C2=CC(=C(C=C2)O)S(=O)(=O)O)(C)C3=CC(=C(C=C3)O)S(=O)(=O)O

InChI

InChI=1S/C22H28O8S2/c1-13(2)16-8-9-22(3,15-5-7-19(24)21(11-15)32(28,29)30)12-17(16)14-4-6-18(23)20(10-14)31(25,26)27/h4-7,10-11,13,16-17,23-24H,8-9,12H2,1-3H3,(H,25,26,27)(H,28,29,30)