3-methylidene-2,2-bis(3-sulfobutyl)butanedioate

Systemtic Name: 3-methylidene-2,2-bis(3-sulfobutyl)butanedioate Openeye Name: 3-methylene-2,2-bis(3-sulfobutyl)butanedioate CAS Name: 3-methylene-2,2-bis(3-sulfobutyl)butanedioate IUPAC Name: 3-methylidene-2,2-bis(3-sulfobutyl)butanedioate Traditional Name: 3-methylene-2,2-bis(3-sulfobutyl)succinate Formula: C13H20O10S2-2 MolecularWeight: 400.4219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O10S2/c1-8(24(18,19)20)4-6-13(12(16)17,10(3)11(14)15)7-5-9(2)25(21,22)23/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)(H,18,19,20)(H,21,22,23)/p-2