3-(6H-benzo[c][1,5]benzodithiepin-6-yl)-N,N-dimethyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)-N,N-dimethyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)-N,N-dimethyl-propan-1-amine; oxalic acid CAS Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)-N,N-dimethyl-1-propanamine; oxalic acid IUPAC Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)-N,N-dimethylpropan-1-amine; oxalic acid Traditional Name: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)propyl-dimethyl-amine; oxalic acid Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1C2=CC=CC=C2SC3=CC=CC=C3S1.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCC1C2=CC=CC=C2SC3=CC=CC=C3S1.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NS2.C2H2O4/c1-19(2)13-7-12-16-14-8-3-4-9-15(14)20-17-10-5-6-11-18(17)21-16;3-1(4)2(5)6/h3-6,8-11,16H,7,12-13H2,1-2H3;(H,3,4)(H,5,6)