4-dodecylbenzenesulfonate; 5-(furan-2-yl)-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: 4-dodecylbenzenesulfonate; 5-(furan-2-yl)-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 4-dodecylbenzenesulfonate; 5-(2-furyl)-2,3-diphenyl-1,3-dihydrotetrazol-3-ium CAS Name: 4-dodecylbenzenesulfonate; 5-(2-furanyl)-2,3-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: 4-dodecylbenzenesulfonate; 5-(furan-2-yl)-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 5-(2-furyl)-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-laurylbesylate Formula: C35H44N4O4S MolecularWeight: 616.81326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C18H30O3S.C17H14N4O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-3-8-14(9-4-1)20-18-17(16-12-7-13-22-16)19-21(20)15-10-5-2-6-11-15/h13-16H,2-12H2,1H3,(H,19,20,21);1-13H,(H,18,19)