2-[2-[bis(2-hydroxyethyl)sulfonio]ethoxy]ethyl-bis(2-hydroxyethyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethoxy]ethyl-bis(2-hydroxyethyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethoxy]ethyl-bis(2-hydroxyethyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethoxy]ethyl-bis(2-hydroxyethyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethoxy]ethyl-bis(2-hydroxyethyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethoxy]ethyl-bis(2-hydroxyethyl)sulfonium ditosylate Formula: C26H42O11S4 MolecularWeight: 658.86508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C(C[S+](CCO)CCOCC[S+](CCO)CCO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C(C[S+](CCO)CCOCC[S+](CCO)CCO)O

InChI

InChI=1S/C12H28O5S2.2C7H8O3S/c13-1-7-18(8-2-14)11-5-17-6-12-19(9-3-15)10-4-16;2*1-6-2-4-7(5-3-6)11(8,9)10/h13-16H,1-12H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2