2-cyclohexyl-2-sulfo-butanedioate; 1H-1,2,3,4-tetrazol-1-ium

Systemtic Name: 2-cyclohexyl-2-sulfo-butanedioate; 1H-1,2,3,4-tetrazol-1-ium Openeye Name: 2-cyclohexyl-2-sulfo-butanedioate; 1H-tetrazol-1-ium CAS Name: 2-cyclohexyl-2-sulfobutanedioate; 1H-tetrazol-1-ium IUPAC Name: 2-cyclohexyl-2-sulfobutanedioate; 1H-tetrazol-1-ium Traditional Name: 2-cyclohexyl-2-sulfo-succinate; 1H-tetrazol-1-ium Formula: C12H20N8O7S MolecularWeight: 420.4016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.C1=NN=N[NH2+]1.C1=NN=N[NH2+]1

Isomeric SMILES

C1CCC(CC1)C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.C1=NN=N[NH2+]1.C1=NN=N[NH2+]1

InChI

InChI=1S/C10H16O7S.2CH2N4/c11-8(12)6-10(9(13)14,18(15,16)17)7-4-2-1-3-5-7;2*1-2-4-5-3-1/h7H,1-6H2,(H,11,12)(H,13,14)(H,15,16,17);2*1H,(H,2,3,4,5)