2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methyl-ethanamine; ethanedioic acid

Systemtic Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methyl-ethanamine; ethanedioic acid Openeye Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methyl-ethanamine; oxalic acid CAS Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylethanamine; oxalic acid IUPAC Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylethanamine; oxalic acid Traditional Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methyl-amine; oxalic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17NOS.C2H2O4/c1-17-11-10-15-12-6-2-3-7-13(12)18-14-8-4-5-9-16(14)19-15;3-1(4)2(5)6/h2-9,15,17H,10-11H2,1H3;(H,3,4)(H,5,6)