1-ethoxy-3-ethoxycarbonyl-1-oxidanylidene-nonane-3-sulfonate; 5-ethyl-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: 1-ethoxy-3-ethoxycarbonyl-1-oxidanylidene-nonane-3-sulfonate; 5-ethyl-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 1-ethoxy-3-ethoxycarbonyl-1-oxo-nonane-3-sulfonate; 5-ethyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium CAS Name: 1-ethoxy-3-ethoxycarbonyl-1-oxo-3-nonanesulfonate; 5-ethyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: 1-ethoxy-3-ethoxycarbonyl-1-oxononane-3-sulfonate; 5-ethyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 3-carbethoxy-1-ethoxy-1-keto-nonane-3-sulfonate; 5-ethyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Formula: C29H42N4O7S MolecularWeight: 590.73138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=O)OCC)(C(=O)OCC)S(=O)(=O)[O-].CCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(CC(=O)OCC)(C(=O)OCC)S(=O)(=O)[O-].CCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H16N4.C14H26O7S/c1-2-15-16-18(13-9-5-3-6-10-13)19(17-15)14-11-7-4-8-12-14;1-4-7-8-9-10-14(22(17,18)19,13(16)21-6-3)11-12(15)20-5-2/h3-12H,2H2,1H3,(H,16,17);4-11H2,1-3H3,(H,17,18,19)