4-[dimethyl-[(2E,6E)-3,7,10-trimethylundeca-2,6,9-trienyl]azaniumyl]-2-oxidanyl-butane-1-sulfonate

Systemtic Name: 4-[dimethyl-[(2E,6E)-3,7,10-trimethylundeca-2,6,9-trienyl]azaniumyl]-2-oxidanyl-butane-1-sulfonate Openeye Name: 4-[dimethyl-[(2E,6E)-3,7,10-trimethylundeca-2,6,9-trienyl]ammonio]-2-hydroxy-butane-1-sulfonate CAS Name: 4-[dimethyl-[(2E,6E)-3,7,10-trimethylundeca-2,6,9-trienyl]ammonio]-2-hydroxy-1-butanesulfonate IUPAC Name: 4-[dimethyl-[(2E,6E)-3,7,10-trimethylundeca-2,6,9-trienyl]azaniumyl]-2-hydroxybutane-1-sulfonate Traditional Name: 4-[dimethyl-[(2E,6E)-3,7,10-trimethylundeca-2,6,9-trienyl]ammonio]-2-hydroxy-butane-1-sulfonate Formula: C20H37NO4S MolecularWeight: 387.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(=CCCC(=CC[N+](C)(C)CCC(CS(=O)(=O)[O-])O)C)C)C

Isomeric SMILES

CC(=CC/C(=C/CC/C(=C/C[N+](C)(C)CCC(CS(=O)(=O)[O-])O)/C)/C)C

InChI

InChI=1S/C20H37NO4S/c1-17(2)10-11-18(3)8-7-9-19(4)12-14-21(5,6)15-13-20(22)16-26(23,24)25/h8,10,12,20,22H,7,9,11,13-16H2,1-6H3/b18-8+,19-12+