disodium; N'-(2-bromanyl-4,5-dimethoxy-phenyl)-N'-(2-diethylaminoethyl)-N,N-diethyl-ethane-1,2-diamine; naphthalene-1,5-disulfonate

Systemtic Name: disodium; N'-(2-bromanyl-4,5-dimethoxy-phenyl)-N'-(2-diethylaminoethyl)-N,N-diethyl-ethane-1,2-diamine; naphthalene-1,5-disulfonate Openeye Name: disodium; N'-(2-bromo-4,5-dimethoxy-phenyl)-N'-(2-diethylaminoethyl)-N,N-diethyl-ethane-1,2-diamine; naphthalene-1,5-disulfonate CAS Name: disodium; N'-(2-bromo-4,5-dimethoxyphenyl)-N'-(2-diethylaminoethyl)-N,N-diethylethane-1,2-diamine; naphthalene-1,5-disulfonate IUPAC Name: disodium; N'-(2-bromo-4,5-dimethoxyphenyl)-N'-(2-diethylaminoethyl)-N,N-diethylethane-1,2-diamine; naphthalene-1,5-disulfonate Traditional Name: disodium; 2-[2-bromo-N-(2-diethylaminoethyl)-4,5-dimethoxy-anilino]ethyl-diethyl-amine; naphthalene-1,5-disulfonate Formula: C30H42BrN3Na2O8S2 MolecularWeight: 762.68332

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CCN(CC)CC)C1=CC(=C(C=C1Br)OC)OC.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCN(CC)CCN(CCN(CC)CC)C1=CC(=C(C=C1Br)OC)OC.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H36BrN3O2.C10H8O6S2.2Na/c1-7-22(8-2)11-13-24(14-12-23(9-3)10-4)18-16-20(26-6)19(25-5)15-17(18)21;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h15-16H,7-14H2,1-6H3;1-6H,(H,11,12,13)(H,14,15,16);;/q;;2*+1/p-2