(E)-but-2-enedioic acid; 2-hex-5-enylsulfanyl-1,3-benzothiazol-6-ol

Systemtic Name: (E)-but-2-enedioic acid; 2-hex-5-enylsulfanyl-1,3-benzothiazol-6-ol Openeye Name: fumaric acid; 2-hex-5-enylsulfanyl-1,3-benzothiazol-6-ol CAS Name: (E)-2-butenedioic acid; 2-(hex-5-enylthio)-1,3-benzothiazol-6-ol IUPAC Name: (E)-but-2-enedioic acid; 2-hex-5-enylsulfanyl-1,3-benzothiazol-6-ol Traditional Name: fumaric acid; 2-(hex-5-enylthio)-1,3-benzothiazol-6-ol Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCSC1=NC2=C(S1)C=C(C=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCCCCSC1=NC2=C(S1)C=C(C=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15NOS2.C4H4O4/c1-2-3-4-5-8-16-13-14-11-7-6-10(15)9-12(11)17-13;5-3(6)1-2-4(7)8/h2,6-7,9,15H,1,3-5,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+