methanesulfonic acid; 3-methoxy-4-[5-(2-methoxyphenoxy)pentoxy]benzenecarboximidamide

Systemtic Name: methanesulfonic acid; 3-methoxy-4-[5-(2-methoxyphenoxy)pentoxy]benzenecarboximidamide Openeye Name: methanesulfonic acid; 3-methoxy-4-[5-(2-methoxyphenoxy)pentoxy]benzamidine CAS Name: methanesulfonic acid; 3-methoxy-4-[5-(2-methoxyphenoxy)pentoxy]benzenecarboximidamide IUPAC Name: methanesulfonic acid; 3-methoxy-4-[5-(2-methoxyphenoxy)pentoxy]benzenecarboximidamide Traditional Name: mesylic acid; 3-methoxy-4-[5-(2-methoxyphenoxy)pentoxy]benzamidine Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCCCCOC2=C(C=C(C=C2)C(=N)N)OC.CS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1OCCCCCOC2=C(C=C(C=C2)C(=N)N)OC.CS(=O)(=O)O

InChI

InChI=1S/C20H26N2O4.CH4O3S/c1-23-16-8-4-5-9-17(16)25-12-6-3-7-13-26-18-11-10-15(20(21)22)14-19(18)24-2;1-5(2,3)4/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H3,21,22);1H3,(H,2,3,4)