1,2,6,7-tetrakis(oxidanyl)-3,5-bis(oxidanylidene)-4-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]heptane-4-sulfonate

Systemtic Name: 1,2,6,7-tetrakis(oxidanyl)-3,5-bis(oxidanylidene)-4-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]heptane-4-sulfonate Openeye Name: 1,2,6,7-tetrahydroxy-3,5-dioxo-4-[1-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]heptane-4-sulfonate CAS Name: 1,2,6,7-tetrahydroxy-3,5-dioxo-4-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-4-heptanesulfonate IUPAC Name: 1,2,6,7-tetrahydroxy-3,5-dioxo-4-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]heptane-4-sulfonate Traditional Name: 1,2,6,7-tetrahydroxy-3,5-diketo-4-[1-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]heptane-4-sulfonate Formula: C24H37O10S- MolecularWeight: 517.60958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)C(CO)O)(C(=O)C(CO)O)S(=O)(=O)[O-])OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCC(C(C(=O)C(CO)O)(C(=O)C(CO)O)S(=O)(=O)[O-])OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C24H38O10S/c1-7-19(34-16-10-8-15(9-11-16)23(5,6)14-22(2,3)4)24(35(31,32)33,20(29)17(27)12-25)21(30)18(28)13-26/h8-11,17-19,25-28H,7,12-14H2,1-6H3,(H,31,32,33)/p-1