11-azanylidenebenzo[b][1]benzothiepine 11-oxide; (E)-but-2-enedioic acid

Systemtic Name: 11-azanylidenebenzo[b][1]benzothiepine 11-oxide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 11-iminobenzo[b][1]benzothiepine 11-oxide CAS Name: (E)-2-butenedioic acid; 11-iminobenzo[b][1]benzothiepin 11-oxide IUPAC Name: (E)-but-2-enedioic acid; 11-iminobenzo[b][1]benzothiepine 11-oxide Traditional Name: fumaric acid; 11-iminobenzo[b][1]benzothiepin 11-oxide Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=CC=CC=C3S2(=N)=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3S2(=N)=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H11NOS.C4H4O4/c15-17(16)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17;5-3(6)1-2-4(7)8/h1-10,15H;1-2H,(H,5,6)(H,7,8)/b;2-1+