disodium; 2-[(E)-2-[2-(2,3-diethylphenoxy)sulfonylphenyl]ethenyl]benzenesulfonate; 1,2,3-triazine-4,5,6-triamine

Systemtic Name: disodium; 2-[(E)-2-[2-(2,3-diethylphenoxy)sulfonylphenyl]ethenyl]benzenesulfonate; 1,2,3-triazine-4,5,6-triamine Openeye Name: disodium; 2-[(E)-2-[2-(2,3-diethylphenoxy)sulfonylphenyl]vinyl]benzenesulfonate; triazine-4,5,6-triamine CAS Name: disodium; 2-[(E)-2-[2-(2,3-diethylphenoxy)sulfonylphenyl]ethenyl]benzenesulfonate; triazine-4,5,6-triamine IUPAC Name: disodium; 2-[(E)-2-[2-(2,3-diethylphenoxy)sulfonylphenyl]ethenyl]benzenesulfonate; triazine-4,5,6-triamine Traditional Name: disodium; (4,6-diaminotriazin-5-yl)amine; 2-[(E)-2-[2-(2,3-diethylphenoxy)sulfonylphenyl]vinyl]besylate Formula: C27H29N6Na2O6S2+ MolecularWeight: 643.6653

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)OS(=O)(=O)C2=CC=CC=C2C=CC3=CC=CC=C3S(=O)(=O)[O-])CC.C1(=C(N=NN=C1N)N)N.[Na+].[Na+]

Isomeric SMILES

CCC1=C(C(=CC=C1)OS(=O)(=O)C2=CC=CC=C2/C=C/C3=CC=CC=C3S(=O)(=O)[O-])CC.C1(=C(N=NN=C1N)N)N.[Na+].[Na+]

InChI

InChI=1S/C24H24O6S2.C3H6N6.2Na/c1-3-18-12-9-13-22(21(18)4-2)30-32(28,29)24-15-8-6-11-20(24)17-16-19-10-5-7-14-23(19)31(25,26)27;4-1-2(5)7-9-8-3(1)6;;/h5-17H,3-4H2,1-2H3,(H,25,26,27);(H2,4,9)(H4,5,6,7,8);;/q;;2*+1/p-1/b17-16+;;;