2-(3-nitrocyclohexa-1,3-dien-1-yl)sulfonylethanesulfonic acid

Systemtic Name: 2-(3-nitrocyclohexa-1,3-dien-1-yl)sulfonylethanesulfonic acid Openeye Name: 2-(3-nitrocyclohexa-1,3-dien-1-yl)sulfonylethanesulfonic acid CAS Name: 2-[(3-nitro-1-cyclohexa-1,3-dienyl)sulfonyl]ethanesulfonic acid IUPAC Name: 2-(3-nitrocyclohexa-1,3-dien-1-yl)sulfonylethanesulfonic acid Traditional Name: 2-(3-nitrocyclohexa-1,3-dien-1-yl)sulfonylethanesulfonic acid Formula: C8H11NO7S2 MolecularWeight: 297.30544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)[N+](=O)[O-])S(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

C1CC(=CC(=C1)[N+](=O)[O-])S(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C8H11NO7S2/c10-9(11)7-2-1-3-8(6-7)17(12,13)4-5-18(14,15)16/h2,6H,1,3-5H2,(H,14,15,16)