(Z)-2,3-bis(2-sulfopropyl)but-2-enedioate; 3-methylidene-2,2-bis(2-sulfopropyl)butanedioate

Systemtic Name: (Z)-2,3-bis(2-sulfopropyl)but-2-enedioate; 3-methylidene-2,2-bis(2-sulfopropyl)butanedioate Openeye Name: (Z)-2,3-bis(2-sulfopropyl)but-2-enedioate; 3-methylene-2,2-bis(2-sulfopropyl)butanedioate CAS Name: (Z)-2,3-bis(2-sulfopropyl)-2-butenedioate; 3-methylene-2,2-bis(2-sulfopropyl)butanedioate IUPAC Name: (Z)-2,3-bis(2-sulfopropyl)but-2-enedioate; 3-methylidene-2,2-bis(2-sulfopropyl)butanedioate Traditional Name: (Z)-2,3-bis(2-sulfopropyl)but-2-enedioate; 3-methylene-2,2-bis(2-sulfopropyl)succinate Formula: C21H30O20S4-4 MolecularWeight: 730.7109

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C/C(=C(\CC(C)S(=O)(=O)O)/C(=O)[O-])/C(=O)[O-])S(=O)(=O)O.CC(CC(CC(C)S(=O)(=O)O)(C(=C)C(=O)[O-])C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C11H18O10S2.C10H16O10S2/c1-6(22(16,17)18)4-11(10(14)15,8(3)9(12)13)5-7(2)23(19,20)21;1-5(21(15,16)17)3-7(9(11)12)8(10(13)14)4-6(2)22(18,19)20/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)(H,16,17,18)(H,19,20,21);5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)(H,15,16,17)(H,18,19,20)/p-4/b;8-7-