disodium [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-5-[4-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanyl-5-sulfinatooxy-phenyl]carbonyl-4-oxidanyl-phenyl] sulfite

Systemtic Name: disodium [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-5-[4-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanyl-5-sulfinatooxy-phenyl]carbonyl-4-oxidanyl-phenyl] sulfite Openeye Name: disodium [4-hydroxy-5-[2-hydroxy-4-(2-isopropyl-5-methyl-cyclohexoxy)-5-sulfinatooxy-benzoyl]-2-(2-isopropyl-5-methyl-cyclohexoxy)phenyl] sulfite CAS Name: disodium [4-hydroxy-5-[[2-hydroxy-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-sulfinatooxyphenyl]-oxomethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl] sulfite IUPAC Name: disodium [4-hydroxy-5-[2-hydroxy-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-sulfinatooxybenzoyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl] sulfite Traditional Name: disodium [4-hydroxy-5-[2-hydroxy-4-(2-isopropyl-5-methyl-cyclohexoxy)-5-sulfito-benzoyl]-2-(2-isopropyl-5-methyl-cyclohexoxy)phenyl] sulfite Formula: C33H44Na2O11S2 MolecularWeight: 726.8054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C=C(C(=C2)O)C(=O)C3=CC(=C(C=C3O)OC4CC(CCC4C(C)C)C)OS(=O)[O-])OS(=O)[O-])C(C)C.[Na+].[Na+]

Isomeric SMILES

CC1CCC(C(C1)OC2=C(C=C(C(=C2)O)C(=O)C3=CC(=C(C=C3O)OC4CC(CCC4C(C)C)C)OS(=O)[O-])OS(=O)[O-])C(C)C.[Na+].[Na+]

InChI

InChI=1S/C33H46O11S2.2Na/c1-17(2)21-9-7-19(5)11-27(21)41-29-15-25(34)23(13-31(29)43-45(37)38)33(36)24-14-32(44-46(39)40)30(16-26(24)35)42-28-12-20(6)8-10-22(28)18(3)4;;/h13-22,27-28,34-35H,7-12H2,1-6H3,(H,37,38)(H,39,40);;/q;2*+1/p-2