4-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)morpholine; ethanedioic acid

Systemtic Name: 4-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)morpholine; ethanedioic acid Openeye Name: 4-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)morpholine; oxalic acid CAS Name: 4-[2-(5-benzo[b][1]benzoxepinylthio)ethyl]morpholine; oxalic acid IUPAC Name: 4-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)morpholine; oxalic acid Traditional Name: 4-[2-(benzo[b][1]benzoxepin-5-ylthio)ethyl]morpholine; oxalic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=CC3=CC=CC=C3OC4=CC=CC=C42.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1CCSC2=CC3=CC=CC=C3OC4=CC=CC=C42.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21NO2S.C2H2O4/c1-3-7-18-16(5-1)15-20(17-6-2-4-8-19(17)23-18)24-14-11-21-9-12-22-13-10-21;3-1(4)2(5)6/h1-8,15H,9-14H2;(H,3,4)(H,5,6)