(E)-but-2-enedioate; 2-sulfooxybenzoate

Systemtic Name: (E)-but-2-enedioate; 2-sulfooxybenzoate Openeye Name: (E)-but-2-enedioate; 2-sulfooxybenzoate CAS Name: (E)-2-butenedioate; 2-sulfooxybenzoate IUPAC Name: (E)-but-2-enedioate; 2-sulfooxybenzoate Traditional Name: 2-sulfoxybenzoate fumarate Formula: C11H7O10S-3 MolecularWeight: 331.23228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C7H6O6S.C4H4O4/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;5-3(6)1-2-4(7)8/h1-4H,(H,8,9)(H,10,11,12);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+