N,N'-bis[(2-prop-2-ynoxynaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis[(2-prop-2-ynoxynaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Openeye Name: N,N'-bis[(2-prop-2-ynoxy-1-naphthyl)methyl]hexane-1,6-diamine; methanesulfonic acid CAS Name: N,N'-bis[(2-prop-2-ynoxy-1-naphthalenyl)methyl]hexane-1,6-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[(2-prop-2-ynoxynaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Traditional Name: mesylic acid; (2-propargyloxy-1-naphthyl)methyl-[6-[(2-propargyloxy-1-naphthyl)methylamino]hexyl]amine Formula: C35H40N2O5S MolecularWeight: 600.7675

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C#CCOC1=C(C2=CC=CC=C2C=C1)CNCCCCCCNCC3=C(C=CC4=CC=CC=C43)OCC#C

Isomeric SMILES

CS(=O)(=O)O.C#CCOC1=C(C2=CC=CC=C2C=C1)CNCCCCCCNCC3=C(C=CC4=CC=CC=C43)OCC#C

InChI

InChI=1S/C34H36N2O2.CH4O3S/c1-3-23-37-33-19-17-27-13-7-9-15-29(27)31(33)25-35-21-11-5-6-12-22-36-26-32-30-16-10-8-14-28(30)18-20-34(32)38-24-4-2;1-5(2,3)4/h1-2,7-10,13-20,35-36H,5-6,11-12,21-26H2;1H3,(H,2,3,4)