2,2-bis(5-ethylnonan-2-yl)-3-sulfo-butanedioic acid

Systemtic Name: 2,2-bis(5-ethylnonan-2-yl)-3-sulfo-butanedioic acid Openeye Name: 2,2-bis(4-ethyl-1-methyl-octyl)-3-sulfo-butanedioic acid CAS Name: 2,2-bis(5-ethylnonan-2-yl)-3-sulfobutanedioic acid IUPAC Name: 2,2-bis(5-ethylnonan-2-yl)-3-sulfobutanedioic acid Traditional Name: 2,2-bis(4-ethyl-1-methyl-octyl)-3-sulfo-succinic acid Formula: C26H50O7S MolecularWeight: 506.736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(C)C(C(C)CCC(CC)CCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)CCC(C)C(C(C)CCC(CC)CCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C26H50O7S/c1-7-11-13-21(9-3)17-15-19(5)26(25(29)30,23(24(27)28)34(31,32)33)20(6)16-18-22(10-4)14-12-8-2/h19-23H,7-18H2,1-6H3,(H,27,28)(H,29,30)(H,31,32,33)