1,1-bis(oxidanylidene)-2-propyl-1,2-benzothiazol-3-one; (E)-but-2-enedioic acid

Systemtic Name: 1,1-bis(oxidanylidene)-2-propyl-1,2-benzothiazol-3-one; (E)-but-2-enedioic acid Openeye Name: 1,1-dioxo-2-propyl-1,2-benzothiazol-3-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1,1-dioxo-2-propyl-1,2-benzothiazol-3-one IUPAC Name: (E)-but-2-enedioic acid; 1,1-dioxo-2-propyl-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-propyl-1,2-benzothiazol-3-one; fumaric acid Formula: C14H15NO7S MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2S1(=O)=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2S1(=O)=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H11NO3S.C4H4O4/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14;5-3(6)1-2-4(7)8/h3-6H,2,7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+