[3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] quinoline-8-sulfonate

Systemtic Name: [3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] quinoline-8-sulfonate Openeye Name: [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] ester IUPAC Name: [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)OCCC=NN=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)OCC/C=N/N=C(N)N

InChI

InChI=1S/C20H21N5O4S/c1-14-11-16(28-10-4-9-24-25-20(21)22)13-17(12-14)29-30(26,27)18-7-2-5-15-6-3-8-23-19(15)18/h2-3,5-9,11-13H,4,10H2,1H3,(H4,21,22,25)/b24-9+