4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid; sodium

Systemtic Name: 4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid; sodium Openeye Name: 4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid; sodium CAS Name: 4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid; sodium IUPAC Name: 4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid; sodium Traditional Name: 4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid; sodium Formula: C27H34N2NaO6S2 MolecularWeight: 569.68843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C27H34N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19,27H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35);