2-(4-methoxy-5-methyl-2-propan-2-yl-phenoxy)-N,N-dimethyl-ethanamine; naphthalene-1,5-disulfonic acid

Systemtic Name: 2-(4-methoxy-5-methyl-2-propan-2-yl-phenoxy)-N,N-dimethyl-ethanamine; naphthalene-1,5-disulfonic acid Openeye Name: 2-(2-isopropyl-4-methoxy-5-methyl-phenoxy)-N,N-dimethyl-ethanamine; naphthalene-1,5-disulfonic acid CAS Name: 2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine; naphthalene-1,5-disulfonic acid IUPAC Name: 2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine; naphthalene-1,5-disulfonic acid Traditional Name: 2-(2-isopropyl-4-methoxy-5-methyl-phenoxy)ethyl-dimethyl-amine; naphthalene-1,5-disulfonic acid Formula: C40H58N2O10S2 MolecularWeight: 791.02592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)C.CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)C.CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/2C15H25NO2.C10H8O6S2/c2*1-11(2)13-10-14(17-6)12(3)9-15(13)18-8-7-16(4)5;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*9-11H,7-8H2,1-6H3;1-6H,(H,11,12,13)(H,14,15,16)