3,5-bis[[3-(2,2-dimethyl-3-oxidanyl-propoxy)-2,2-dimethyl-3-oxidanylidene-propoxy]carbonyl]benzenesulfonic acid

Systemtic Name: 3,5-bis[[3-(2,2-dimethyl-3-oxidanyl-propoxy)-2,2-dimethyl-3-oxidanylidene-propoxy]carbonyl]benzenesulfonic acid Openeye Name: 3,5-bis[[3-(3-hydroxy-2,2-dimethyl-propoxy)-2,2-dimethyl-3-oxo-propoxy]carbonyl]benzenesulfonic acid CAS Name: 3,5-bis[[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethyl-3-oxopropoxy]-oxomethyl]benzenesulfonic acid IUPAC Name: 3,5-bis[[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethyl-3-oxopropoxy]carbonyl]benzenesulfonic acid Traditional Name: 3,5-bis[[3-(3-hydroxy-2,2-dimethyl-propoxy)-3-keto-2,2-dimethyl-propoxy]carbonyl]besylic acid Formula: C28H42O13S MolecularWeight: 618.69028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC(=O)C(C)(C)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(C)(C)C(=O)OCC(C)(C)CO

Isomeric SMILES

CC(C)(CO)COC(=O)C(C)(C)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(C)(C)C(=O)OCC(C)(C)CO

InChI

InChI=1S/C28H42O13S/c1-25(2,12-29)14-40-23(33)27(5,6)16-38-21(31)18-9-19(11-20(10-18)42(35,36)37)22(32)39-17-28(7,8)24(34)41-15-26(3,4)13-30/h9-11,29-30H,12-17H2,1-8H3,(H,35,36,37)