3-azanyl-6-methoxy-cyclohexa-1,5-diene-1,3-disulfonic acid

Systemtic Name: 3-azanyl-6-methoxy-cyclohexa-1,5-diene-1,3-disulfonic acid Openeye Name: 3-amino-6-methoxy-cyclohexa-1,5-diene-1,3-disulfonic acid CAS Name: 3-amino-6-methoxycyclohexa-1,5-diene-1,3-disulfonic acid IUPAC Name: 3-amino-6-methoxycyclohexa-1,5-diene-1,3-disulfonic acid Traditional Name: 3-amino-6-methoxy-cyclohexa-1,5-diene-1,3-disulfonic acid Formula: C7H11NO7S2 MolecularWeight: 285.29474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(C=C1S(=O)(=O)O)(N)S(=O)(=O)O

Isomeric SMILES

COC1=CCC(C=C1S(=O)(=O)O)(N)S(=O)(=O)O

InChI

InChI=1S/C7H11NO7S2/c1-15-5-2-3-7(8,17(12,13)14)4-6(5)16(9,10)11/h2,4H,3,8H2,1H3,(H,9,10,11)(H,12,13,14)