4-[bis[4-(diethylamino)-2-oxidanyl-phenyl]methyl]benzene-1,3-disulfonic acid

Systemtic Name: 4-[bis[4-(diethylamino)-2-oxidanyl-phenyl]methyl]benzene-1,3-disulfonic acid Openeye Name: 4-[bis[4-(diethylamino)-2-hydroxy-phenyl]methyl]benzene-1,3-disulfonic acid CAS Name: 4-[bis[4-(diethylamino)-2-hydroxyphenyl]methyl]benzene-1,3-disulfonic acid IUPAC Name: 4-[bis[4-(diethylamino)-2-hydroxyphenyl]methyl]benzene-1,3-disulfonic acid Traditional Name: 4-[bis[4-(diethylamino)-2-hydroxy-phenyl]methyl]benzene-1,3-disulfonic acid Formula: C27H34N2O8S2 MolecularWeight: 578.69746

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)O)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)O)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C27H34N2O8S2/c1-5-28(6-2)18-9-12-21(24(30)15-18)27(22-13-10-19(16-25(22)31)29(7-3)8-4)23-14-11-20(38(32,33)34)17-26(23)39(35,36)37/h9-17,27,30-31H,5-8H2,1-4H3,(H,32,33,34)(H,35,36,37)