2,3-bis(2-ethylhexyl)-2-sulfonato-butanedioate

Systemtic Name: 2,3-bis(2-ethylhexyl)-2-sulfonato-butanedioate Openeye Name: 2,3-bis(2-ethylhexyl)-2-sulfonato-butanedioate CAS Name: 2,3-bis(2-ethylhexyl)-2-sulfonatobutanedioate IUPAC Name: 2,3-bis(2-ethylhexyl)-2-sulfonatobutanedioate Traditional Name: 2,3-bis(2-ethylhexyl)-2-sulfonato-succinate Formula: C20H35O7S-3 MolecularWeight: 419.5527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=O)[O-])C(CC(CC)CCCC)(C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(C(=O)[O-])C(CC(CC)CCCC)(C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C20H38O7S/c1-5-9-11-15(7-3)13-17(18(21)22)20(19(23)24,28(25,26)27)14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27)/p-3