5-azanylidene-2-methoxy-1-sulfo-cyclohex-2-ene-1-carboxylic acid

Systemtic Name: 5-azanylidene-2-methoxy-1-sulfo-cyclohex-2-ene-1-carboxylic acid Openeye Name: 5-imino-2-methoxy-1-sulfo-cyclohex-2-ene-1-carboxylic acid CAS Name: 5-imino-2-methoxy-1-sulfo-1-cyclohex-2-enecarboxylic acid IUPAC Name: 5-imino-2-methoxy-1-sulfocyclohex-2-ene-1-carboxylic acid Traditional Name: 5-imino-2-methoxy-1-sulfo-cyclohex-2-ene-1-carboxylic acid Formula: C8H11NO6S MolecularWeight: 249.24104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(=N)CC1(C(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CCC(=N)CC1(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H11NO6S/c1-15-6-3-2-5(9)4-8(6,7(10)11)16(12,13)14/h3,9H,2,4H2,1H3,(H,10,11)(H,12,13,14)