2-sulfo-2-(3,5,5-trimethylhexyl)butanedioate; 1H-1,2,3,4-tetrazol-1-ium

Systemtic Name: 2-sulfo-2-(3,5,5-trimethylhexyl)butanedioate; 1H-1,2,3,4-tetrazol-1-ium Openeye Name: 2-sulfo-2-(3,5,5-trimethylhexyl)butanedioate; 1H-tetrazol-1-ium CAS Name: 2-sulfo-2-(3,5,5-trimethylhexyl)butanedioate; 1H-tetrazol-1-ium IUPAC Name: 2-sulfo-2-(3,5,5-trimethylhexyl)butanedioate; 1H-tetrazol-1-ium Traditional Name: 2-sulfo-2-(3,5,5-trimethylhexyl)succinate; 1H-tetrazol-1-ium Formula: C15H28N8O7S MolecularWeight: 464.49722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O)CC(C)(C)C.C1=NN=N[NH2+]1.C1=NN=N[NH2+]1

Isomeric SMILES

CC(CCC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O)CC(C)(C)C.C1=NN=N[NH2+]1.C1=NN=N[NH2+]1

InChI

InChI=1S/C13H24O7S.2CH2N4/c1-9(7-12(2,3)4)5-6-13(11(16)17,8-10(14)15)21(18,19)20;2*1-2-4-5-3-1/h9H,5-8H2,1-4H3,(H,14,15)(H,16,17)(H,18,19,20);2*1H,(H,2,3,4,5)