disodium (1E,3E,5E,7E,9E,11E,13E,15E,17Z,19E,21E,23E,25E,27E,29E,31E,33E)-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-hexadecamethyl-34-oxidanidylperoxysulfinyl-pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene-1-sulfonate

Systemtic Name: disodium (1E,3E,5E,7E,9E,11E,13E,15E,17Z,19E,21E,23E,25E,27E,29E,31E,33E)-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-hexadecamethyl-34-oxidanidylperoxysulfinyl-pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene-1-sulfonate Openeye Name: disodium (1E,3E,5E,7E,9E,11E,13E,15E,17Z,19E,21E,23E,25E,27E,29E,31E,33E)-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-hexadecamethyl-34-oxidoperoxysulfinyl-pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene-1-sulfonate CAS Name: disodium (1E,3E,5E,7E,9E,11E,13E,15E,17Z,19E,21E,23E,25E,27E,29E,31E,33E)-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-hexadecamethyl-34-oxidodioxysulfinyl-1-pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaenesulfonate IUPAC Name: disodium (1E,3E,5E,7E,9E,11E,13E,15E,17Z,19E,21E,23E,25E,27E,29E,31E,33E)-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-hexadecamethyl-34-oxidoperoxysulfinylpentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene-1-sulfonate Traditional Name: disodium (1E,3E,5E,7E,9E,11E,13E,15E,17Z,19E,21E,23E,25E,27E,29E,31E,33E)-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-hexadecamethyl-34-oxidoperoxysulfinyl-pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene-1-sulfonate Formula: C51H68Na2O7S2 MolecularWeight: 903.19096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=CC(=CC(=CC(=CC(=CC(=CC(=CC(=CS(=O)(=O)[O-])C)C)C)C)C)C)C)C)C=C(C)C=C(C)C=C(C)C=C(C)C=C(C)C=C(C)C=C(C)C=C(C)S(=O)OO[O-].[Na+].[Na+]

Isomeric SMILES

C/C(=C/C(=C/C(=C/C(=C/C(=C/C(=C/C(=C/C(=C/C(=C/S(=O)(=O)[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/S(=O)OO[O-].[Na+].[Na+]

InChI

InChI=1S/C51H70O7S2.2Na/c1-35(18-36(2)20-38(4)22-40(6)24-42(8)26-44(10)28-46(12)30-48(14)32-50(16)34-60(54,55)56)19-37(3)21-39(5)23-41(7)25-43(9)27-45(11)29-47(13)31-49(15)33-51(17)59(53)58-57-52;;/h18-34,52H,1-17H3,(H,54,55,56);;/q;2*+1/p-2/b35-18-,36-20+,37-19+,38-22+,39-21+,40-24+,41-23+,42-26+,43-25+,44-28+,45-27+,46-30+,47-29+,48-32+,49-31+,50-34+,51-33+;;