methanesulfonic acid; 4-[5-(2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide

Systemtic Name: methanesulfonic acid; 4-[5-(2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide Openeye Name: 4-[5-(2-isopropoxyphenoxy)pentoxy]benzamidine; methanesulfonic acid CAS Name: methanesulfonic acid; 4-[5-(2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide IUPAC Name: methanesulfonic acid; 4-[5-(2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide Traditional Name: 4-[5-(2-isopropoxyphenoxy)pentoxy]benzamidine; mesylic acid Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OCCCCCOC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1OCCCCCOC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)O

InChI

InChI=1S/C21H28N2O3.CH4O3S/c1-16(2)26-20-9-5-4-8-19(20)25-15-7-3-6-14-24-18-12-10-17(11-13-18)21(22)23;1-5(2,3)4/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H3,22,23);1H3,(H,2,3,4)