2,3-bis(4-methylpentyl)-2-sulfo-butanedioate

Systemtic Name: 2,3-bis(4-methylpentyl)-2-sulfo-butanedioate Openeye Name: 2,3-diisohexyl-2-sulfo-butanedioate CAS Name: 2,3-bis(4-methylpentyl)-2-sulfobutanedioate IUPAC Name: 2,3-bis(4-methylpentyl)-2-sulfobutanedioate Traditional Name: 2,3-diisohexyl-2-sulfo-succinate Formula: C16H28O7S-2 MolecularWeight: 364.45432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S/c1-11(2)7-5-9-13(14(17)18)16(15(19)20,24(21,22)23)10-6-8-12(3)4/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20)(H,21,22,23)/p-2