4-[bis[4-(diethylamino)phenyl]-oxidanyl-methyl]-6-oxidanyl-benzene-1,3-disulfonic acid

Systemtic Name: 4-[bis[4-(diethylamino)phenyl]-oxidanyl-methyl]-6-oxidanyl-benzene-1,3-disulfonic acid Openeye Name: 4-[bis[4-(diethylamino)phenyl]-hydroxy-methyl]-6-hydroxy-benzene-1,3-disulfonic acid CAS Name: 4-[bis[4-(diethylamino)phenyl]-hydroxymethyl]-6-hydroxybenzene-1,3-disulfonic acid IUPAC Name: 4-[bis[4-(diethylamino)phenyl]-hydroxymethyl]-6-hydroxybenzene-1,3-disulfonic acid Traditional Name: 4-[bis[4-(diethylamino)phenyl]-hydroxy-methyl]-6-hydroxy-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=CC=C(C=C2)N(CC)CC)(C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)(C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)O)O

InChI

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