methanesulfonic acid; 4-[5-(2-methoxy-5-methyl-phenoxy)pentoxy]benzenecarboximidamide

Systemtic Name: methanesulfonic acid; 4-[5-(2-methoxy-5-methyl-phenoxy)pentoxy]benzenecarboximidamide Openeye Name: methanesulfonic acid; 4-[5-(2-methoxy-5-methyl-phenoxy)pentoxy]benzamidine CAS Name: methanesulfonic acid; 4-[5-(2-methoxy-5-methylphenoxy)pentoxy]benzenecarboximidamide IUPAC Name: methanesulfonic acid; 4-[5-(2-methoxy-5-methylphenoxy)pentoxy]benzenecarboximidamide Traditional Name: mesylic acid; 4-[5-(2-methoxy-5-methyl-phenoxy)pentoxy]benzamidine Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)OCCCCCOC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)OCCCCCOC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)O

InChI

InChI=1S/C20H26N2O3.CH4O3S/c1-15-6-11-18(23-2)19(14-15)25-13-5-3-4-12-24-17-9-7-16(8-10-17)20(21)22;1-5(2,3)4/h6-11,14H,3-5,12-13H2,1-2H3,(H3,21,22);1H3,(H,2,3,4)