benzenesulfonic acid; 3-methoxy-6-nitro-2-oxidanyl-benzaldehyde

Systemtic Name: benzenesulfonic acid; 3-methoxy-6-nitro-2-oxidanyl-benzaldehyde Openeye Name: benzenesulfonic acid; 2-hydroxy-3-methoxy-6-nitro-benzaldehyde CAS Name: benzenesulfonic acid; 2-hydroxy-3-methoxy-6-nitrobenzaldehyde IUPAC Name: benzenesulfonic acid; 2-hydroxy-3-methoxy-6-nitrobenzaldehyde Traditional Name: besylic acid; 2-hydroxy-3-methoxy-6-nitro-benzaldehyde Formula: C14H13NO8S MolecularWeight: 355.31992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)[N+](=O)[O-])C=O)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)[N+](=O)[O-])C=O)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C8H7NO5.C6H6O3S/c1-14-7-3-2-6(9(12)13)5(4-10)8(7)11;7-10(8,9)6-4-2-1-3-5-6/h2-4,11H,1H3;1-5H,(H,7,8,9)