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

Systemtic Name: 2,2-bis(2-ethylhexyl)-3-sulfo-butanedioate Openeye Name: 2,2-bis(2-ethylhexyl)-3-sulfo-butanedioate CAS Name: 2,2-bis(2-ethylhexyl)-3-sulfobutanedioate IUPAC Name: 2,2-bis(2-ethylhexyl)-3-sulfobutanedioate Traditional Name: 2,2-bis(2-ethylhexyl)-3-sulfo-succinate Formula: C20H36O7S-2 MolecularWeight: 420.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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