(Z)-but-2-enedioic acid; 1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine]

Systemtic Name: (Z)-but-2-enedioic acid; 1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine] Openeye Name: maleic acid; 1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine] CAS Name: (Z)-2-butenedioic acid; 1'-methylspiro[benzo[c][1,5]benzoxathiepin-6,4'-piperidine] IUPAC Name: (Z)-but-2-enedioic acid; 1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine] Traditional Name: maleic acid; 1'-methylspiro[benzo[c][1,5]benzoxathiepin-6,4'-piperidine] Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2(CC1)C3=CC=CC=C3SC4=CC=CC=C4O2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC2(CC1)C3=CC=CC=C3SC4=CC=CC=C4O2.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19NOS.C4H4O4/c1-19-12-10-18(11-13-19)14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20-18;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-