[3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] 3-methylbenzenesulfonate

Systemtic Name: [3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] 3-methylbenzenesulfonate Openeye Name: [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] ester IUPAC Name: [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=CC(=C2)OCCC=NN=C(N)N)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=CC(=C2)OCC/C=N/N=C(N)N)C

InChI

InChI=1S/C18H22N4O4S/c1-13-5-3-6-17(11-13)27(23,24)26-16-10-14(2)9-15(12-16)25-8-4-7-21-22-18(19)20/h3,5-7,9-12H,4,8H2,1-2H3,(H4,19,20,22)/b21-7+