2,2-diethyl-3-hexyl-3-sulfonato-butanedioate; 5-dodecyl-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: 2,2-diethyl-3-hexyl-3-sulfonato-butanedioate; 5-dodecyl-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 2,2-diethyl-3-hexyl-3-sulfonato-butanedioate; 5-dodecyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium CAS Name: 2,2-diethyl-3-hexyl-3-sulfonatobutanedioate; 5-dodecyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: 2,2-diethyl-3-hexyl-3-sulfonatobutanedioate; 5-dodecyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 2,2-diethyl-3-hexyl-3-sulfonato-succinate; 5-lauryl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Formula: C89H134N12O7S MolecularWeight: 1516.15746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCCCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCCCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCC(C(=O)[O-])(C(CC)(CC)C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCCCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCCCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCC(C(=O)[O-])(C(CC)(CC)C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/3C25H36N4.C14H26O7S/c3*1-2-3-4-5-6-7-8-9-10-17-22-25-26-28(23-18-13-11-14-19-23)29(27-25)24-20-15-12-16-21-24;1-4-7-8-9-10-14(12(17)18,22(19,20)21)13(5-2,6-3)11(15)16/h3*11-16,18-21H,2-10,17,22H2,1H3,(H,26,27);4-10H2,1-3H3,(H,15,16)(H,17,18)(H,19,20,21)