4-[bis[4-(ethylamino)-3-methyl-phenyl]methyl]benzene-1,3-disulfonic acid

Systemtic Name: 4-[bis[4-(ethylamino)-3-methyl-phenyl]methyl]benzene-1,3-disulfonic acid Openeye Name: 4-[bis[4-(ethylamino)-3-methyl-phenyl]methyl]benzene-1,3-disulfonic acid CAS Name: 4-[bis[4-(ethylamino)-3-methylphenyl]methyl]benzene-1,3-disulfonic acid IUPAC Name: 4-[bis[4-(ethylamino)-3-methylphenyl]methyl]benzene-1,3-disulfonic acid Traditional Name: 4-[bis[4-(ethylamino)-3-methyl-phenyl]methyl]benzene-1,3-disulfonic acid Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)NCC)C)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)NCC)C)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C25H30N2O6S2/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33/h7-15,25-27H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33)