[3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] naphthalene-1-sulfonate

Systemtic Name: [3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] naphthalene-1-sulfonate Openeye Name: [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] ester IUPAC Name: [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)OCCC=NN=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)OCC/C=N/N=C(N)N

InChI

InChI=1S/C21H22N4O4S/c1-15-12-17(28-11-5-10-24-25-21(22)23)14-18(13-15)29-30(26,27)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-10,12-14H,5,11H2,1H3,(H4,22,23,25)/b24-10+